azane;trioctylphosphane;hydrobromide

C24H55BrNP — CID 174675093

IUPACazane;trioctylphosphane;hydrobromide
SMILESBr.CCCCCCCCP(CCCCCCCC)CCCCCCCC.N
InChIInChI=1S/C24H51P.BrH.H3N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;;/h4-24H2,1-3H3;1H;1H3
InChIKeyMYRBWKYLIALVDH-UHFFFAOYSA-N
MW468.59 g/mol
LogP10.29
Rot. Bonds21

About azane;trioctylphosphane;hydrobromide

azane;trioctylphosphane;hydrobromide (PubChem CID 174675093) has the molecular formula C24H55BrNP and a molecular weight of 468.59 g/mol. Its IUPAC name is azane;trioctylphosphane;hydrobromide.

Molecular Properties

Compound Nameazane;trioctylphosphane;hydrobromide
PubChem CID174675093
Molecular FormulaC24H55BrNP
Molecular Weight468.59 g/mol
Exact Mass467.33
IUPAC Nameazane;trioctylphosphane;hydrobromide
SMILESBr.CCCCCCCCP(CCCCCCCC)CCCCCCCC.N
InChIInChI=1S/C24H51P.BrH.H3N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;;/h4-24H2,1-3H3;1H;1H3
InChIKeyMYRBWKYLIALVDH-UHFFFAOYSA-N
XLogP10.29
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 510.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodecane;trioctylphosphane;dihydrobromide
CID 173344161
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
dibutyl(decyl)phosphane
CID 171559269
bismuthane;trioctylphosphane
CID 174398286
tris(trioctylphosphane);tungsten
CID 158972203
2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
CID 21448799
dibutyl(tetradecyl)phosphane
CID 118319275
tripentylphosphane
CID 2784073
cadmium;selane;trioctylphosphane
CID 174961482
bromomethane;trioctylphosphane
CID 175266178

Frequently Asked Questions

What is the IUPAC name of azane;trioctylphosphane;hydrobromide?
The IUPAC name of azane;trioctylphosphane;hydrobromide (CID 174675093) is azane;trioctylphosphane;hydrobromide.
What is the SMILES notation for azane;trioctylphosphane;hydrobromide?
The canonical SMILES for azane;trioctylphosphane;hydrobromide is Br.CCCCCCCCP(CCCCCCCC)CCCCCCCC.N.
What is the InChIKey of azane;trioctylphosphane;hydrobromide?
The InChIKey is MYRBWKYLIALVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51P.BrH.H3N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;;/h4-24H2,1-3H3;1H;1H3.
What are the key properties of azane;trioctylphosphane;hydrobromide?
azane;trioctylphosphane;hydrobromide has a molecular weight of 468.59 g/mol, XLogP of 10.29, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;trioctylphosphane;hydrobromide is sourced from PubChem (CID 174675093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).