benzyl(cyclopropylmethyl)amine

• ChemBase ID: 21856
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C1CC1CNCc1ccccc1
• Canonical SMILES: N(Cc1ccccc1)CC1CC1
• InChI: InChI=1S/C11H15N/c1-2-4-10(5-3-1)8-12-9-11-6-7-11/h1-5,11-12H,6-9H2
• InChIKey: QONMRPMQMVTSLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(cyclopropylmethyl)amine
• IUPAC Traditional name: benzyl(cyclopropylmethyl)amine
• Synonyms: N-benzyl-1-cyclopropylmethanamine; N-Benzyl(cyclopropyl)methanamine

Database IDs

• CAS Number: 116373-23-0
• MDL Number: MFCD03129358
• PubChem SID: 160985163
• PubChem CID: 518069

CALCULATED PROPERTIES

• Log P: 2.312172
• Molar Refractivity: 51.248 cm^3
• Polarizability: 20.391155 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.90429115
• LogD (pH = 7.4): -0.16628183

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false