(2R)-2-amino-2-phenylacetamide hydrochloride

• ChemBase ID: 150985
• Molecular Formular: C8H11ClN2O
• Molecular Mass: 186.63874
• Monoisotopic Mass: 186.05599066
• SMILES: c1ccc(cc1)[C@H](C(=O)N)N.Cl
• Canonical SMILES: N[C@H](c1ccccc1)C(=O)N.Cl
• InChI: InChI=1S/C8H10N2O.ClH/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7H,9H2,(H2,10,11);1H/t7-;/m1./s1
• InChIKey: LXOAFHGMXCFTOU-OGFXRTJISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-2-phenylacetamide hydrochloride
• IUPAC Traditional name: (2R)-2-amino-2-phenylacetamide hydrochloride
• Synonyms: (R)-(+)-2-Amino-2-phenylacetamide hydrochloride; D-2-Amino-2-phenylacetamide hydrochloride; (R)-(+)-2-氨基-2-苯乙酰胺 盐酸盐; D-2-氨基-2-苯基乙酰胺盐酸盐

Database IDs

• CAS Number: 63291-39-4
• MDL Number: MFCD01863288
• PubChem SID: 24877945; 162245144
• PubChem CID: 16216957

CALCULATED PROPERTIES

• Acid pKa: 16.122173
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2010598
• LogD (pH = 7.4): -0.5249433
• Log P: -0.017988766
• Molar Refractivity: 42.1835 cm^3
• Polarizability: 16.739655 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 294 °C (dec.)(lit.)
• Optical Rotation: [α]20/D -1.4°, c = 1% in H2O

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C8H10N2O · HCl

DETAILS

Sigma Aldrich - 533157

Packaging
5 g in glass bottle