(4-chlorophenyl)(2-methylcyclopropyl)methanamine hydrochloride

• ChemBase ID: 282864
• Molecular Formular: C11H15Cl2N
• Molecular Mass: 232.1495
• Monoisotopic Mass: 231.05815485
• SMILES: C1(CC1C)C(c1ccc(cc1)Cl)N.Cl
• Canonical SMILES: NC(c1ccc(cc1)Cl)C1CC1C.Cl
• InChI: InChI=1S/C11H14ClN.ClH/c1-7-6-10(7)11(13)8-2-4-9(12)5-3-8;/h2-5,7,10-11H,6,13H2,1H3;1H
• InChIKey: DIRIHGOVBFWJMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorophenyl)(2-methylcyclopropyl)methanamine hydrochloride
• IUPAC Traditional name: (4-chlorophenyl)(2-methylcyclopropyl)methanamine hydrochloride
• Synonyms: (4-chlorophenyl)(2-methylcyclopropyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD20441710
• PubChem SID: 180668395
• PubChem CID: 54595565

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.1766216
• LogD (pH = 7.4): 0.56763035
• Log P: 2.8304224
• Molar Refractivity: 55.497 cm^3
• Polarizability: 22.193716 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 254 - 256°C
• Hydrophobicity(logP): 3.079

Product Information

• Purity: 95%