tris(ethylamino) phosphate

C6H18N3O4P — CID 54538553

IUPACtris(ethylamino) phosphate
SMILESCCNOP(=O)(ONCC)ONCC
InChIInChI=1S/C6H18N3O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h7-9H,4-6H2,1-3H3
InChIKeyZBMNVKDVYRSQAW-UHFFFAOYSA-N
MW227.20 g/mol
LogP0.72
Rot. Bonds9

About tris(ethylamino) phosphate

tris(ethylamino) phosphate (PubChem CID 54538553) has the molecular formula C6H18N3O4P and a molecular weight of 227.20 g/mol. Its IUPAC name is tris(ethylamino) phosphate.

Molecular Properties

Compound Nametris(ethylamino) phosphate
PubChem CID54538553
Molecular FormulaC6H18N3O4P
Molecular Weight227.20 g/mol
Exact Mass227.10
IUPAC Nametris(ethylamino) phosphate
SMILESCCNOP(=O)(ONCC)ONCC
InChIInChI=1S/C6H18N3O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h7-9H,4-6H2,1-3H3
InChIKeyZBMNVKDVYRSQAW-UHFFFAOYSA-N
XLogP0.72
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

alumane;tris(2-aminoethylamino) phosphate
CID 175212348
aminophosphonic acid;N-methoxyethanamine
CID 22609101
ethylamino propyl (2-silyloxan-2-yl) phosphate
CID 175151855
N-[chloro(ethylamino)phosphoryl]ethanamine
CID 23416057
ethylamino nitrite
CID 22320949
tributan-2-yl phosphate
CID 11482502
tris(butoxymethyl) phosphate
CID 22620630
di(pentan-3-yloxy)phosphoryl dipentan-3-yl phosphate
CID 22497722
methyl 2-(diethoxyphosphoryloxymethoxy)acetate
CID 141170254
(octylamino) diphenyl phosphate
CID 23023277
CID 172720905
CID 172720905
[[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid
CID 87853523

Frequently Asked Questions

What is the IUPAC name of tris(ethylamino) phosphate?
The IUPAC name of tris(ethylamino) phosphate (CID 54538553) is tris(ethylamino) phosphate.
What is the SMILES notation for tris(ethylamino) phosphate?
The canonical SMILES for tris(ethylamino) phosphate is CCNOP(=O)(ONCC)ONCC.
What is the InChIKey of tris(ethylamino) phosphate?
The InChIKey is ZBMNVKDVYRSQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N3O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h7-9H,4-6H2,1-3H3.
What are the key properties of tris(ethylamino) phosphate?
tris(ethylamino) phosphate has a molecular weight of 227.20 g/mol, XLogP of 0.72, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethylamino) phosphate is sourced from PubChem (CID 54538553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).