3-cyclopropylaniline

• ChemBase ID: 236588
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: C1(CC1)c1cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)C1CC1
• InChI: InChI=1S/C9H11N/c10-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5,10H2
• InChIKey: LKJYNYKTZLTHJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropylaniline
• IUPAC Traditional name: 3-cyclopropylaniline
• Synonyms: 3-cyclopropylaniline

Database IDs

• MDL Number: MFCD06802404
• PubChem SID: 164292498
• PubChem CID: 12032139

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8652209
• LogD (pH = 7.4): 1.9247876
• Log P: 1.9256032
• Molar Refractivity: 43.147 cm^3
• Polarizability: 16.212234 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.858

Product Information

• Purity: 95%