benzyl(cyclobutylmethyl)amine

• ChemBase ID: 21855
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: N(Cc1ccccc1)CC1CCC1
• Canonical SMILES: N(Cc1ccccc1)CC1CCC1
• InChI: InChI=1S/C12H17N/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-12/h1-3,5-6,12-13H,4,7-10H2
• InChIKey: RZZDZPJDYKHZJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(cyclobutylmethyl)amine
• IUPAC Traditional name: benzyl(cyclobutylmethyl)amine
• Synonyms: benzyl(cyclobutylmethyl)amine; N-benzyl-1-cyclobutylmethanamine; N-(Cyclobutylmethyl)(phenyl)methanamine

Database IDs

• CAS Number: 356539-83-8
• MDL Number: MFCD03129359
• PubChem SID: 160985162
• PubChem CID: 1527643

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.46354803
• LogD (pH = 7.4): 0.2194458
• Log P: 2.7567406
• Molar Refractivity: 55.849 cm^3
• Polarizability: 22.238192 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.042

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%