2-cyclopropylaniline

• ChemBase ID: 16386
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: c1(C2CC2)c(cccc1)N
• Canonical SMILES: Nc1ccccc1C1CC1
• InChI: InChI=1S/C9H11N/c10-9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6,10H2
• InChIKey: JSKOLQWFMXYJAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylaniline
• IUPAC Traditional name: 2-cyclopropylaniline
• Synonyms: (2-cyclopropylphenyl)amine; 2-Cyclopropyl-phenylamine

Database IDs

• CAS Number: 3158-73-4
• MDL Number: MFCD00604193
• PubChem SID: 160979693
• PubChem CID: 76618

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9041256
• LogD (pH = 7.4): 1.925326
• Log P: 1.9256032
• Molar Refractivity: 43.147 cm^3
• Polarizability: 16.212322 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false