3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride

C19H43Cl12N4O5P3 — CID 157307366

IUPAC3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride
SMILESCl.ClCCCCCCl.NCCCO.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)N(CCCl)CCCl.O=P1(N(CCCl)CCCl)NCCCO1
InChIInChI=1S/C7H15Cl2N2O2P.C5H10Cl2.C4H8Cl4NOP.C3H9NO.Cl3OP.ClH/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;6-4-2-1-3-5-7;5-1-3-9(4-2-6)11(7,8)10;4-2-1-3-5;1-5(2,3)4;/h1-7H2,(H,10,12);1-5H2;1-4H2;5H,1-4H2;;1H
InChIKeyAYEACZAGMQUFGL-UHFFFAOYSA-N
MW925.93 g/mol
LogP10.43
Rot. Bonds16

About 3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride

3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride (PubChem CID 157307366) has the molecular formula C19H43Cl12N4O5P3 and a molecular weight of 925.93 g/mol. Its IUPAC name is 3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride.

Molecular Properties

Compound Name3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride
PubChem CID157307366
Molecular FormulaC19H43Cl12N4O5P3
Molecular Weight925.93 g/mol
Exact Mass919.87
IUPAC Name3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride
SMILESCl.ClCCCCCCl.NCCCO.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)N(CCCl)CCCl.O=P1(N(CCCl)CCCl)NCCCO1
InChIInChI=1S/C7H15Cl2N2O2P.C5H10Cl2.C4H8Cl4NOP.C3H9NO.Cl3OP.ClH/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;6-4-2-1-3-5-7;5-1-3-9(4-2-6)11(7,8)10;4-2-1-3-5;1-5(2,3)4;/h1-7H2,(H,10,12);1-5H2;1-4H2;5H,1-4H2;;1H
InChIKeyAYEACZAGMQUFGL-UHFFFAOYSA-N
XLogP10.43
TPSA125.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.93
LogP ≤ 510.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;trichlorostibane
CID 6333990
3-aminopropyl 2-[2-hydroxyethyl-(2-oxo-1,3,2λ5-oxazaphosphinan-2-yl)amino]ethyl hydrogen phosphate
CID 171381055
tris(4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one);N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
CID 173144907
2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinane-4,4-diol
CID 143849441
N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 68865291
N,N-bis(2-chloro-2,2-dideuterioethyl)-5,5-dideuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N,N-bis(2-chloro-2,2-dideuterioethyl)-6,6-dideuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N,N-bis(2-chloro-2,2-dideuterioethyl)-3,4,4,5,5-pentadeuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N,N-bis(2-chloro-2,2-dideuterioethyl)-4,4,5,5-tetradeuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N,N-bis(2-chloro-2,2-dideuterioethyl)-3,4,4-trideuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N,N-bis(2-chloro-2,2-dideuterioethyl)-3,5,5-trideuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N,N-bis(2-chloro-2,2-dideuterioethyl)-3,6,6-trideuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
CID 158376604
(4R)-N,N-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 3047834
(2S,4R)-N,N-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
CID 76961107
(2R,5R)-N,N-bis(2-chloroethyl)-5-fluoro-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
CID 131885179
N,N-bis(2-chloro-1,1,2,2-tetradeuterioethyl)-3-deuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N,N-bis(2-chloro-1,1,2,2-tetradeuterioethyl)-4,4-dideuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N,N-bis(2-chloro-1,1,2,2-tetradeuterioethyl)-5,5-dideuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N,N-bis(2-chloro-1,1,2,2-tetradeuterioethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N,N-bis(2-chloro-1,1,2,2-tetradeuterioethyl)-3,4,4,5,5-pentadeuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N,N-bis(2-chloro-1,1,2,2-tetradeuterioethyl)-4,4,5,5-tetradeuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N,N-bis(2-chloro-1,1,2,2-tetradeuterioethyl)-3,4,4-trideuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N,N-bis(2-chloro-1,1,2,2-tetradeuterioethyl)-3,5,5-trideuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N-(2-chloro-2,2-dideuterioethyl)-N-(2-chloro-1,1,2,2-tetradeuterioethyl)-3,4,4,5,5,6,6-heptadeuterio-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine
CID 161410526
2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 13135009
13-chlorotridecan-1-ol
CID 12663580

Frequently Asked Questions

What is the IUPAC name of 3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride?
The IUPAC name of 3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride (CID 157307366) is 3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride.
What is the SMILES notation for 3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride?
The canonical SMILES for 3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride is Cl.ClCCCCCCl.NCCCO.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)N(CCCl)CCCl.O=P1(N(CCCl)CCCl)NCCCO1.
What is the InChIKey of 3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride?
The InChIKey is AYEACZAGMQUFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl2N2O2P.C5H10Cl2.C4H8Cl4NOP.C3H9NO.Cl3OP.ClH/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;6-4-2-1-3-5-7;5-1-3-9(4-2-6)11(7,8)10;4-2-1-3-5;1-5(2,3)4;/h1-7H2,(H,10,12);1-5H2;1-4H2;5H,1-4H2;;1H.
What are the key properties of 3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride?
3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride has a molecular weight of 925.93 g/mol, XLogP of 10.43, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropan-1-ol;N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine;1,5-dichloropentane;phosphoryl trichloride;hydrochloride is sourced from PubChem (CID 157307366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).