Aniline acetateProduct ingredient for Aniline
- Name
- Aniline acetate
- 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
- DBSALT002334
- Structure
Structure for Aniline acetate (DBSALT002334)
- Synonyms
- Not Available
- UNII
- 9K3OS48D34
- CAS Number
- 542-14-3
- Weight
- Average: 153.181
Monoisotopic: 153.078978598 - Chemical Formula
- C8H11NO2
- InChI Key
- FHSWXOCOMAVQKE-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H7N.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h1-5H,7H2;1H3,(H,3,4)
- IUPAC Name
- acetic acid; aniline
- SMILES
- CC(O)=O.NC1=CC=CC=C1
- External Links
- ChemSpider
- 4675225
- Predicted Properties
Property Value Source Water Solubility 18.0 mg/mL ALOGPS logP 0.89 ALOGPS logP 1.14 Chemaxon logS -0.71 ALOGPS pKa (Strongest Basic) 4.64 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 26.02 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 30.76 m3·mol-1 Chemaxon Polarizability 10.29 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon