N-benzylcyclopropanamine hydrochloride

• ChemBase ID: 278443
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: C1(CC1)NCc1ccccc1.Cl
• Canonical SMILES: N(C1CC1)Cc1ccccc1.Cl
• InChI: InChI=1S/C10H13N.ClH/c1-2-4-9(5-3-1)8-11-10-6-7-10;/h1-5,10-11H,6-8H2;1H
• InChIKey: SUDZAPVGJAYJHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzylcyclopropanamine hydrochloride
• IUPAC Traditional name: N-benzylcyclopropanamine hydrochloride
• Synonyms: N-benzylcyclopropanamine hydrochloride

Database IDs

• MDL Number: MFCD07110782
• PubChem SID: 164334353
• PubChem CID: 12727119

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1681372
• LogD (pH = 7.4): -0.034895763
• Log P: 1.9971591
• Molar Refractivity: 46.5172 cm^3
• Polarizability: 18.544119 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.094

Product Information

• Purity: 95%