2-methyl-2-phenylcyclopropan-1-amine hydrochloride

• ChemBase ID: 279381
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: C1(CC1N)(c1ccccc1)C.Cl
• Canonical SMILES: NC1CC1(C)c1ccccc1.Cl
• InChI: InChI=1S/C10H13N.ClH/c1-10(7-9(10)11)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H
• InChIKey: XSAYOCIULDDCLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-phenylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-methyl-2-phenylcyclopropan-1-amine hydrochloride
• Synonyms: 2-methyl-2-phenylcyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20233660
• PubChem SID: 164335291
• PubChem CID: 54595264

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2463145
• LogD (pH = 7.4): -0.14888154
• Log P: 1.7168833
• Molar Refractivity: 46.0947 cm^3
• Polarizability: 18.463192 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185 - 187°C
• Hydrophobicity(logP): 1.997

Product Information

• Purity: 95%