6-phenylhexan-1-amine hydrochloride

• ChemBase ID: 176580
• Molecular Formular: C12H20ClN
• Molecular Mass: 213.7469
• Monoisotopic Mass: 213.12842733
• SMILES: c1ccccc1CCCCCCN.Cl
• Canonical SMILES: NCCCCCCc1ccccc1.Cl
• InChI: InChI=1S/C12H19N.ClH/c13-11-7-2-1-4-8-12-9-5-3-6-10-12;/h3,5-6,9-10H,1-2,4,7-8,11,13H2;1H
• InChIKey: JYKYEUDNRJFMMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenylhexan-1-amine hydrochloride
• IUPAC Traditional name: 6-phenylhexan-1-amine hydrochloride
• Synonyms: Benzenehexanamine, Hydrochloride

Database IDs

• CAS Number: 120375-57-7
• PubChem SID: 164232490
• PubChem CID: 46782742

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.14196189
• LogD (pH = 7.4): 0.56173843
• Log P: 3.16595
• Molar Refractivity: 57.6904 cm^3
• Polarizability: 22.906502 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: CHloroform; DMSO; Methanol
• Apperance: White to Off-White Solid

Safety Information

• Storage Condition: Hygroscopic, Refrigerator, Under Inert Atmosphere