(2-cyclopropylphenyl)methanamine

• ChemBase ID: 61503
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1(CC1)c1c(CN)cccc1
• Canonical SMILES: NCc1ccccc1C1CC1
• InChI: InChI=1S/C10H13N/c11-7-9-3-1-2-4-10(9)8-5-6-8/h1-4,8H,5-7,11H2
• InChIKey: XSUSWKYDSROWDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-cyclopropylphenyl)methanamine
• IUPAC Traditional name: (2-cyclopropylphenyl)methanamine
• Synonyms: 2-Cyclopropylbenzylamine; (2-Cyclopropylphenyl)methanamine

Database IDs

• CAS Number: 118184-66-0
• MDL Number: MFCD00626840
• PubChem SID: 162027244
• PubChem CID: 13953866

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1076564
• LogD (pH = 7.4): -0.16890724
• Log P: 1.8802975
• Molar Refractivity: 46.92 cm^3
• Polarizability: 18.460348 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT, CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%