CAS 6485-67-2 D-Phenylglycinamide (HCID 729987)

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Basic information

CAS: 6485-67-2
Standard SMILES: NC(=O)[C@H](N)c1ccccc1
InChIKey: KIYRSYYOVDHSPG-SSDOTTSWSA-N
Molecular formula: C8H10N2O
Average molar mass: 150.181 g/mol
Monoisotopic mass: 150.07931294

Names & identifiers

Preferred name: D-Phenylglycinamide
IUPAC: (2R)-2-Amino-2-phenylacetamide
English name: D(-)-Phenylglycinamide
Molecular formula: C8H10N2O
Molecular weight: 150.18

Names & synonyms

Phenylglycine amide(R)-PHENYLGLYCINAMIDE(R)-2-Amino-2-phenylacetamide(R)-PGAL-PhenylglycineamideCefaclor Impurity 22D-PHENYLGLYCINE AMIDECephalexin Impurity 2D(-)-PHENYLGLYCINAMIDEH-D-PHENYLGLYCINEAMIDE

Database identifiers

CAS: 6485-67-2
PubChem CID: 729987
DTXSID: DTXSID30215140
UNII: 2NDY0KO51E
EC Number: 420-370-0
Nikkaji: J38.369D

Properties

Physicochemical properties

Melting point: 125 · 125-129 °C
alpha: -48.5 · -48.5 º (c=0.55, EtOH)
Boiling point: 271.72 °C · 271.72°C (rough estimate)
Density: 1.1392 · 1.1392 (rough estimate)
refractive index: 1.618 · 1.6180 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Aqueous Acid (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)
form: Crystalline Powder
pka: 15.61 · 15.61±0.50(Predicted)
color: White to light yellow
InChI: InChI=1/C8H10N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11)/t7-/s3
InChIKey: KIYRSYYOVDHSPG-KPOCXSGKNA-N
SMILES: C(N)(=O)[C@H](N)C1C=CC=CC=1 |&1:3,r|
CAS DataBase Reference: 6485 · 6485-67-2(CAS DataBase Reference)
FDA UNII: 2 NDY0KO51E · 2NDY0KO51E
UNSPSC Code: 12352209 · 12352209
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 271 · P271-P261-P280
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38

Safety & regulation

Safety data

wgk: WGK 3
hs_code: 29242998
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H317-H319
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P271-P261-P280

Chemistry & industry

Applications

UsesD-Phenylglycinamide is used in the synthesis of Boceprevir (B674500),an inhibitor of hepatitis C.

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

江苏生康迈翔科技有限公司18217475093 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

1 records

New reaction record

HRID 983354As productuspto-grants-2005_03

Compound notes

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