(1-benzylcyclopropyl)methanamine

• ChemBase ID: 241231
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C1(CC1)(Cc1ccccc1)CN
• Canonical SMILES: NCC1(CC1)Cc1ccccc1
• InChI: InChI=1S/C11H15N/c12-9-11(6-7-11)8-10-4-2-1-3-5-10/h1-5H,6-9,12H2
• InChIKey: MIVHNNWMFIPWIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzylcyclopropyl)methanamine
• IUPAC Traditional name: (1-benzylcyclopropyl)methanamine
• Synonyms: (1-benzylcyclopropyl)methanamine

Database IDs

• MDL Number: MFCD20694299
• PubChem SID: 164297141
• PubChem CID: 22325125

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8957724
• LogD (pH = 7.4): -0.15443602
• Log P: 2.111492
• Molar Refractivity: 50.9549 cm^3
• Polarizability: 20.31288 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.246

Product Information

• Purity: 95%