[(2S)-2-amino-2-phenylethyl]dimethylamine

• ChemBase ID: 287972
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: CN(C[C@@H](N)c1ccccc1)C
• Canonical SMILES: N[C@@H](c1ccccc1)CN(C)C
• InChI: InChI=1S/C10H16N2/c1-12(2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3/t10-/m1/s1
• InChIKey: NPGAXSHDDOESHB-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S)-2-amino-2-phenylethyl]dimethylamine
• IUPAC Traditional name: [(2S)-2-amino-2-phenylethyl]dimethylamine
• Synonyms: N-((2S)-2-Amino-2-phenylethyl)-N,N-dimethylamine

Database IDs

• CAS Number: 702699-84-1
• MDL Number: MFCD10565843
• PubChem SID: 180673503
• PubChem CID: 7009993

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9047062
• LogD (pH = 7.4): -0.6245415
• Log P: 1.1774259
• Molar Refractivity: 52.2207 cm^3
• Polarizability: 20.803177 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%