2-methyl-2-phenylpropan-1-amine

• ChemBase ID: 53004
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1cccc(c1)C(C)(CN)C
• Canonical SMILES: NCC(c1ccccc1)(C)C
• InChI: InChI=1S/C10H15N/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
• InChIKey: CWSGTPMVOJFVIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-phenylpropan-1-amine
• IUPAC Traditional name: 2-methyl-2-phenylpropan-1-amine
• Synonyms: 2-Methyl-2-phenylpropan-1-amine; 2-methyl-2-phenylpropylamine; 2-Methyl-2-phenylpropylamine; beta,beta-Dimethylphenethylamine

Database IDs

• CAS Number: 21404-88-6
• MDL Number: MFCD06213339
• PubChem SID: 162057767
• PubChem CID: 210602

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.85723203
• LogD (pH = 7.4): 0.08209866
• Log P: 2.130649
• Molar Refractivity: 48.1561 cm^3
• Polarizability: 19.209951 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.231

Safety Information

• Storage Warning: Corrosive/Harmful/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%