(4-propylphenyl)methanamine hydrochloride

• ChemBase ID: 796677
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: Cl.C(N)c1ccc(cc1)CCC
• Canonical SMILES: CCCc1ccc(cc1)CN.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-2-3-9-4-6-10(8-11)7-5-9;/h4-7H,2-3,8,11H2,1H3;1H
• InChIKey: YROYVCIXPCLPMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-propylphenyl)methanamine hydrochloride
• IUPAC Traditional name: (4-propylphenyl)methanamine hydrochloride
• Synonyms: (4-Propylphenyl)MethanaMine hydrochloride

Database IDs

• CAS Number: 856627-23-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.49079162
• LogD (pH = 7.4): 0.41091362
• Log P: 2.501573
• Molar Refractivity: 48.7746 cm^3
• Polarizability: 19.20742 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%