3-azidopropyl(triethoxy)phosphanium

C9H21N3O3P+ — CID 164843743

IUPAC3-azidopropyl(triethoxy)phosphanium
SMILESCCO[P+](CCCN=[N+]=[N-])(OCC)OCC
InChIInChI=1S/C9H21N3O3P/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-12-10/h4-9H2,1-3H3/q+1
InChIKeyXHKBXVGIKARFEH-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.56
Rot. Bonds10

About 3-azidopropyl(triethoxy)phosphanium

3-azidopropyl(triethoxy)phosphanium (PubChem CID 164843743) has the molecular formula C9H21N3O3P+ and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-azidopropyl(triethoxy)phosphanium.

Molecular Properties

Compound Name3-azidopropyl(triethoxy)phosphanium
PubChem CID164843743
Molecular FormulaC9H21N3O3P+
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name3-azidopropyl(triethoxy)phosphanium
SMILESCCO[P+](CCCN=[N+]=[N-])(OCC)OCC
InChIInChI=1S/C9H21N3O3P/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-12-10/h4-9H2,1-3H3/q+1
InChIKeyXHKBXVGIKARFEH-UHFFFAOYSA-N
XLogP3.56
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azidopropyl(triethoxy)phosphanium?
The IUPAC name of 3-azidopropyl(triethoxy)phosphanium (CID 164843743) is 3-azidopropyl(triethoxy)phosphanium.
What is the SMILES notation for 3-azidopropyl(triethoxy)phosphanium?
The canonical SMILES for 3-azidopropyl(triethoxy)phosphanium is CCO[P+](CCCN=[N+]=[N-])(OCC)OCC.
What is the InChIKey of 3-azidopropyl(triethoxy)phosphanium?
The InChIKey is XHKBXVGIKARFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3P/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-12-10/h4-9H2,1-3H3/q+1.
What are the key properties of 3-azidopropyl(triethoxy)phosphanium?
3-azidopropyl(triethoxy)phosphanium has a molecular weight of 250.26 g/mol, XLogP of 3.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidopropyl(triethoxy)phosphanium is sourced from PubChem (CID 164843743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).