alumane;tris(2-aminoethylamino) phosphate

C6H24AlN6O4P — CID 175212348

IUPACalumane;tris(2-aminoethylamino) phosphate
SMILESNCCNOP(=O)(ONCCN)ONCCN.[AlH3]
InChIInChI=1S/C6H21N6O4P.Al.3H/c7-1-4-10-14-17(13,15-11-5-2-8)16-12-6-3-9;;;;/h10-12H,1-9H2;;;;
InChIKeyBNPDOEKTDAZUDR-UHFFFAOYSA-N
MW302.25 g/mol
LogP-3.65
Rot. Bonds12

About alumane;tris(2-aminoethylamino) phosphate

alumane;tris(2-aminoethylamino) phosphate (PubChem CID 175212348) has the molecular formula C6H24AlN6O4P and a molecular weight of 302.25 g/mol. Its IUPAC name is alumane;tris(2-aminoethylamino) phosphate.

Molecular Properties

Compound Namealumane;tris(2-aminoethylamino) phosphate
PubChem CID175212348
Molecular FormulaC6H24AlN6O4P
Molecular Weight302.25 g/mol
Exact Mass302.14
IUPAC Namealumane;tris(2-aminoethylamino) phosphate
SMILESNCCNOP(=O)(ONCCN)ONCCN.[AlH3]
InChIInChI=1S/C6H21N6O4P.Al.3H/c7-1-4-10-14-17(13,15-11-5-2-8)16-12-6-3-9;;;;/h10-12H,1-9H2;;;;
InChIKeyBNPDOEKTDAZUDR-UHFFFAOYSA-N
XLogP-3.65
TPSA158.91 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.25
LogP ≤ 5-3.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2-aminoethylamino) phosphate;manganese(2+)
CID 175393374
(2-aminoethylamino) dihydrogen phosphate;platinum
CID 175317533
sodium (2-aminoethylamino)oxy-ethylphosphinate
CID 175452891
alumane;(2-aminoethylamino)oxy-butylphosphinic acid
CID 175052605
tris(ethylamino) phosphate
CID 54538553
N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine
CID 57234029
N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine
CID 175151410
[2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid
CID 175606321
sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate
CID 175606320
pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate
CID 175158292
N'-(2-aminoethoxy)ethane-1,2-diamine
CID 54074422
sodium;[2-(2-aminoethylamino)ethylamino] [hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate;hydride
CID 175158289

Frequently Asked Questions

What is the IUPAC name of alumane;tris(2-aminoethylamino) phosphate?
The IUPAC name of alumane;tris(2-aminoethylamino) phosphate (CID 175212348) is alumane;tris(2-aminoethylamino) phosphate.
What is the SMILES notation for alumane;tris(2-aminoethylamino) phosphate?
The canonical SMILES for alumane;tris(2-aminoethylamino) phosphate is NCCNOP(=O)(ONCCN)ONCCN.[AlH3].
What is the InChIKey of alumane;tris(2-aminoethylamino) phosphate?
The InChIKey is BNPDOEKTDAZUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H21N6O4P.Al.3H/c7-1-4-10-14-17(13,15-11-5-2-8)16-12-6-3-9;;;;/h10-12H,1-9H2;;;;.
What are the key properties of alumane;tris(2-aminoethylamino) phosphate?
alumane;tris(2-aminoethylamino) phosphate has a molecular weight of 302.25 g/mol, XLogP of -3.65, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;tris(2-aminoethylamino) phosphate is sourced from PubChem (CID 175212348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).