3-(4-methylphenyl)propan-1-amine

• ChemBase ID: 144006
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: Cc1ccc(cc1)CCCN
• Canonical SMILES: NCCCc1ccc(cc1)C
• InChI: InChI=1S/C10H15N/c1-9-4-6-10(7-5-9)3-2-8-11/h4-7H,2-3,8,11H2,1H3
• InChIKey: NUWCDHQYCLUEDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methylphenyl)propan-1-amine
• IUPAC Traditional name: tolpropamine
• Synonyms: 3-(4-Methylphenyl)propan-1-amine; 3-(4-methylphenyl)propan-1-amine

Database IDs

• CAS Number: 54930-39-1
• MDL Number: MFCD07374075
• PubChem SID: 162238223
• PubChem CID: 12564270

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.674324
• LogD (pH = 7.4): -0.15186687
• Log P: 2.3456655
• Molar Refractivity: 48.9286 cm^3
• Polarizability: 19.129812 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C10H15N

DETAILS

Sigma Aldrich - CBR00043

Other Notes
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Legal Information
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