[bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium

C10H22Cl4N2O3P+ — CID 18677041

IUPAC[bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium
SMILESO=P(O)(N(CCCl)CCCl)[N+](CCO)(CCCl)CCCl
InChIInChI=1S/C10H21Cl4N2O3P/c11-1-5-15(6-2-12)20(18,19)16(7-3-13,8-4-14)9-10-17/h17H,1-10H2/p+1
InChIKeyPKSCFCPIFRTISW-UHFFFAOYSA-O
MW391.08 g/mol
LogP2.15
Rot. Bonds12

About [bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium

[bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium (PubChem CID 18677041) has the molecular formula C10H22Cl4N2O3P+ and a molecular weight of 391.08 g/mol. Its IUPAC name is [bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name[bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium
PubChem CID18677041
Molecular FormulaC10H22Cl4N2O3P+
Molecular Weight391.08 g/mol
Exact Mass389.01
IUPAC Name[bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium
SMILESO=P(O)(N(CCCl)CCCl)[N+](CCO)(CCCl)CCCl
InChIInChI=1S/C10H21Cl4N2O3P/c11-1-5-15(6-2-12)20(18,19)16(7-3-13,8-4-14)9-10-17/h17H,1-10H2/p+1
InChIKeyPKSCFCPIFRTISW-UHFFFAOYSA-O
XLogP2.15
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.08
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-chloroethyl)-N-[chloromethyl(fluoro)phosphoryl]ethanamine
CID 98574419
1,1'-biphenyl;bis(2-chloroethyl)aminophosphonic acid
CID 21117531
3-[[amino(hydroxy)phosphoryl]-(2-chloroethyl)amino]propanoic acid
CID 10082595
azane;ethane-1,2-diol;phosphoric acid
CID 174794036
4-[[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]amino]butan-1-ol
CID 3060572
2-hydroxyethyl-dimethyl-phosphonooxyazanium
CID 178069820
2-[bis(2-chloroethyl)amino-(2-hydroxyethyl)amino]ethanol
CID 174915514
bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine
CID 13294663
sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid
CID 174491788
bis(2-chloroethylamino)phosphinic acid;3-bromopropan-1-ol;(2-chloroethylamino)-[2-chloroethyl(3-hydroxypropyl)amino]phosphinic acid;methane;molecular iodine;hydroiodide
CID 165055108
N-(2-chloroethyl)-N-(2-hydroxyethyl)nitrous amide
CID 175674488
hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium;dihydrate
CID 22266794

Frequently Asked Questions

What is the IUPAC name of [bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium?
The IUPAC name of [bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium (CID 18677041) is [bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium.
What is the SMILES notation for [bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium?
The canonical SMILES for [bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium is O=P(O)(N(CCCl)CCCl)[N+](CCO)(CCCl)CCCl.
What is the InChIKey of [bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium?
The InChIKey is PKSCFCPIFRTISW-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21Cl4N2O3P/c11-1-5-15(6-2-12)20(18,19)16(7-3-13,8-4-14)9-10-17/h17H,1-10H2/p+1.
What are the key properties of [bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium?
[bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium has a molecular weight of 391.08 g/mol, XLogP of 2.15, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(2-chloroethyl)amino-hydroxyphosphoryl]-bis(2-chloroethyl)-(2-hydroxyethyl)azanium is sourced from PubChem (CID 18677041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).