(4-propylphenyl)methanamine

• ChemBase ID: 286804
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: NCc1ccc(CCC)cc1
• Canonical SMILES: CCCc1ccc(cc1)CN
• InChI: InChI=1S/C10H15N/c1-2-3-9-4-6-10(8-11)7-5-9/h4-7H,2-3,8,11H2,1H3
• InChIKey: XOADGIXTUMJDDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 538342-98-2
• MDL Number: MFCD03411009
• PubChem SID: 180672335
• PubChem CID: 12162002

CALCULATED PROPERTIES

• Polarizability: 19.20742 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• 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

PROPERTIES

Product Information

• Purity: 95+%