2-benzylcyclopropan-1-amine hydrochloride

• ChemBase ID: 279306
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: C1(C(C1)N)Cc1ccccc1.Cl
• Canonical SMILES: NC1CC1Cc1ccccc1.Cl
• InChI: InChI=1S/C10H13N.ClH/c11-10-7-9(10)6-8-4-2-1-3-5-8;/h1-5,9-10H,6-7,11H2;1H
• InChIKey: JJKACBNAIHGYOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-benzylcyclopropan-1-amine hydrochloride
• Synonyms: 2-benzylcyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20233645
• PubChem SID: 164335216
• PubChem CID: 522962

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2311337
• LogD (pH = 7.4): -0.6011108
• Log P: 1.7834511
• Molar Refractivity: 46.2976 cm^3
• Polarizability: 18.466013 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.857

Product Information

• Purity: 95%