N-benzylcyclopropanamine

• ChemBase ID: 254221
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1(CC1)NCc1ccccc1
• Canonical SMILES: N(C1CC1)Cc1ccccc1
• InChI: InChI=1S/C10H13N/c1-2-4-9(5-3-1)8-11-10-6-7-10/h1-5,10-11H,6-8H2
• InChIKey: USBAUXJPPHVCTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzylcyclopropanamine
• IUPAC Traditional name: N-benzylcyclopropanamine
• Synonyms: N-benzyl-N-cyclopropylamine

Database IDs

• CAS Number: 13324-66-8
• MDL Number: MFCD00089909
• PubChem SID: 164310131
• PubChem CID: 25866

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): 1.864

Product Information

• Purity: 95%