(2S)-2-amino-N,N-dimethyl-2-phenylacetamide hydrochloride

• ChemBase ID: 61730
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: C(=O)([C@H](c1ccccc1)N)N(C)C.Cl
• Canonical SMILES: N[C@H](C(=O)N(C)C)c1ccccc1.Cl
• InChI: InChI=1S/C10H14N2O.ClH/c1-12(2)10(13)9(11)8-6-4-3-5-7-8;/h3-7,9H,11H2,1-2H3;1H/t9-;/m0./s1
• InChIKey: QJCCZUYHXMYWGC-FVGYRXGTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-N,N-dimethyl-2-phenylacetamide hydrochloride
• IUPAC Traditional name: (2S)-2-amino-N,N-dimethyl-2-phenylacetamide hydrochloride
• Synonyms: (2S)-2-Amino-N,N-dimethyl-2-phenylacetamide hydrochloride

Database IDs

• MDL Number: MFCD20444426
• PubChem SID: 162027471
• PubChem CID: 56773881

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7419189
• LogD (pH = 7.4): -0.0681682
• Log P: 0.42936337
• Molar Refractivity: 51.9769 cm^3
• Polarizability: 20.426643 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%