azanium;nonan-2-yl(dioctyl)phosphane;nitrate

C25H57N2O3P — CID 172785276

IUPACazanium;nonan-2-yl(dioctyl)phosphane;nitrate
SMILESCCCCCCCCP(CCCCCCCC)C(C)CCCCCCC.O=[N+]([O-])[O-].[NH4+]
InChIInChI=1S/C25H53P.NO3.H3N/c1-5-8-11-14-17-20-23-26(24-21-18-15-12-9-6-2)25(4)22-19-16-13-10-7-3;2-1(3)4;/h25H,5-24H2,1-4H3;;1H3/q;-1;/p+1
InChIKeyOUOJARQXMBYXBV-UHFFFAOYSA-O
MW464.72 g/mol
LogP10.08
Rot. Bonds21

About azanium;nonan-2-yl(dioctyl)phosphane;nitrate

azanium;nonan-2-yl(dioctyl)phosphane;nitrate (PubChem CID 172785276) has the molecular formula C25H57N2O3P and a molecular weight of 464.72 g/mol. Its IUPAC name is azanium;nonan-2-yl(dioctyl)phosphane;nitrate.

Molecular Properties

Compound Nameazanium;nonan-2-yl(dioctyl)phosphane;nitrate
PubChem CID172785276
Molecular FormulaC25H57N2O3P
Molecular Weight464.72 g/mol
Exact Mass464.41
IUPAC Nameazanium;nonan-2-yl(dioctyl)phosphane;nitrate
SMILESCCCCCCCCP(CCCCCCCC)C(C)CCCCCCC.O=[N+]([O-])[O-].[NH4+]
InChIInChI=1S/C25H53P.NO3.H3N/c1-5-8-11-14-17-20-23-26(24-21-18-15-12-9-6-2)25(4)22-19-16-13-10-7-3;2-1(3)4;/h25H,5-24H2,1-4H3;;1H3/q;-1;/p+1
InChIKeyOUOJARQXMBYXBV-UHFFFAOYSA-O
XLogP10.08
TPSA102.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.72
LogP ≤ 510.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;nonan-2-yl(dioctyl)phosphane
CID 172807028
2-nitropentadecane
CID 87201105
diheptyl(propan-2-yl)phosphane
CID 22497662
1-dihexylphosphanylhexyl(dihexyl)phosphane
CID 90112069
7-nitrohexadecane
CID 87201115
1-dihexylphosphanyloctyl(dihexyl)phosphane
CID 90111410
6-nitrododecane
CID 11095997
9-nitrooctadecane
CID 87201118
dioctyl(tetracosan-8-yl)phosphane
CID 159416945
tris(decan-2-yl)phosphane
CID 90108783
dodecan-5-yl(dioctyl)phosphane
CID 172795592
5-nitrononadecane
CID 167528506

Frequently Asked Questions

What is the IUPAC name of azanium;nonan-2-yl(dioctyl)phosphane;nitrate?
The IUPAC name of azanium;nonan-2-yl(dioctyl)phosphane;nitrate (CID 172785276) is azanium;nonan-2-yl(dioctyl)phosphane;nitrate.
What is the SMILES notation for azanium;nonan-2-yl(dioctyl)phosphane;nitrate?
The canonical SMILES for azanium;nonan-2-yl(dioctyl)phosphane;nitrate is CCCCCCCCP(CCCCCCCC)C(C)CCCCCCC.O=[N+]([O-])[O-].[NH4+].
What is the InChIKey of azanium;nonan-2-yl(dioctyl)phosphane;nitrate?
The InChIKey is OUOJARQXMBYXBV-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H53P.NO3.H3N/c1-5-8-11-14-17-20-23-26(24-21-18-15-12-9-6-2)25(4)22-19-16-13-10-7-3;2-1(3)4;/h25H,5-24H2,1-4H3;;1H3/q;-1;/p+1.
What are the key properties of azanium;nonan-2-yl(dioctyl)phosphane;nitrate?
azanium;nonan-2-yl(dioctyl)phosphane;nitrate has a molecular weight of 464.72 g/mol, XLogP of 10.08, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;nonan-2-yl(dioctyl)phosphane;nitrate is sourced from PubChem (CID 172785276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).