1-(2-chlorophenyl)propan-2-amine hydrochloride

• ChemBase ID: 258230
• Molecular Formular: C9H13Cl2N
• Molecular Mass: 206.11222
• Monoisotopic Mass: 205.04250478
• SMILES: c1(c(Cl)cccc1)CC(N)C.Cl
• Canonical SMILES: CC(Cc1ccccc1Cl)N.Cl
• InChI: InChI=1S/C9H12ClN.ClH/c1-7(11)6-8-4-2-3-5-9(8)10;/h2-5,7H,6,11H2,1H3;1H
• InChIKey: OMZVWFGRVWIEKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chlorophenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 1-(2-chlorophenyl)propan-2-amine hydrochloride
• Synonyms: 1-(2-chlorophenyl)propan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD11811762
• PubChem SID: 164314140
• PubChem CID: 20027460

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.607705
• LogD (pH = 7.4): -0.003238488
• Log P: 2.4082952
• Molar Refractivity: 48.51 cm^3
• Polarizability: 19.164524 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 2.455

Product Information

• Purity: 95%