2-(4-methylphenyl)propan-2-amine

• ChemBase ID: 52931
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1(ccc(cc1)C(N)(C)C)C
• Canonical SMILES: Cc1ccc(cc1)C(N)(C)C
• InChI: InChI=1S/C10H15N/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7H,11H2,1-3H3
• InChIKey: AHIOEYFAAFXSSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylphenyl)propan-2-amine
• IUPAC Traditional name: 2-(4-methylphenyl)propan-2-amine
• Synonyms: 2-p-Tolylpropan-2-amine; 2-(4-Methylphenyl)propan-2-amine

Database IDs

• CAS Number: 6526-79-0
• MDL Number: MFCD08669637
• PubChem SID: 162057694
• PubChem CID: 584050

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.70918477
• LogD (pH = 7.4): -0.1599248
• Log P: 2.3095872
• Molar Refractivity: 48.6296 cm^3
• Polarizability: 19.207552 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%