(2R)-4-phenylbutan-2-amine

• ChemBase ID: 796353
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: C[C@H](CCc1ccccc1)N
• Canonical SMILES: C[C@H](CCc1ccccc1)N
• InChI: InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3/t9-/m1/s1
• InChIKey: WECUIGDEWBNQJJ-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-4-phenylbutan-2-amine
• IUPAC Traditional name: (2R)-4-phenylbutan-2-amine
• Synonyms: (R)-4-Phenylbutan-2-aMine

Database IDs

• CAS Number: 937-52-0

CALCULATED PROPERTIES

• 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): -0.77643716
• LogD (pH = 7.4): -0.3953231
• Log P: 2.248819
• Molar Refractivity: 48.3062 cm^3
• Polarizability: 19.212496 Å^3

PROPERTIES

Product Information

• Purity: 97%