4-cyclopropylaniline hydrochloride

• ChemBase ID: 293166
• Molecular Formular: C9H12ClN
• Molecular Mass: 169.65128
• Monoisotopic Mass: 169.06582707
• SMILES: Nc1ccc(C2CC2)cc1.Cl
• Canonical SMILES: Nc1ccc(cc1)C1CC1.Cl
• InChI: InChI=1S/C9H11N.ClH/c10-9-5-3-8(4-6-9)7-1-2-7;/h3-7H,1-2,10H2;1H
• InChIKey: RNBSVMVXEJNTQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropylaniline hydrochloride
• IUPAC Traditional name: 4-cyclopropylaniline hydrochloride
• Synonyms: 4-Cyclopropylaniline hydrochloride

Database IDs

• CAS Number: 1588440-94-1
• PubChem SID: 180678697
• PubChem CID: 71464190

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8532021
• LogD (pH = 7.4): 1.9246113
• Log P: 1.9256032
• Molar Refractivity: 43.147 cm^3
• Polarizability: 16.211359 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%