Aniline hydrobromideProduct ingredient for Aniline

Name
Aniline hydrobromide
Drug Entry
Aniline

Aniline, phenylamine or aminobenzene is an organic compound with the formula C6H5NH2. Consisting of an amine attached to a benzene ring, aniline is the prototypical aromatic amine. Being a precursor to many industrial chemicals, its main use is in the manufacture of precursors to polyurethane. Like most volatile amines, it possesses the somewhat unpleasant odour of rotten fish. Aniline is colorless, but it slowly oxidizes and resinifies in air, giving a red-brown tint to aged samples.

Accession Number
DBSALT001862
Structure
Synonyms
Aniline bromide / Anilinium bromide / Benzenamine, hydrobromide / Benzenamine, hydrobromide (1:1) / Phenylammonium bromide
UNII
01XK3D1SXO
CAS Number
542-11-0
Weight
Average: 174.041
Monoisotopic: 172.984012
Chemical Formula
C6H8BrN
InChI Key
KBPWECBBZZNAIE-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N.BrH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
IUPAC Name
aniline hydrobromide
SMILES
Br.NC1=CC=CC=C1
ChemSpider
61625
Predicted Properties
PropertyValueSource
Water Solubility18.0 mg/mLALOGPS
logP0.89ALOGPS
logP1.14Chemaxon
logS-0.71ALOGPS
pKa (Strongest Basic)4.64Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area26.02 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity30.76 m3·mol-1Chemaxon
Polarizability10.29 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon