(S)-(+)-2-Phenylglycine amide

HCID 729986CAS 6485-52-5

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Grundinformationen

Standard-SMILES: NC(=O)[C@@H](N)c1ccccc1
InChIKey: KIYRSYYOVDHSPG-ZETCQYMHSA-N
Summenformel: C8H10N2O
Durchschnittliche Molmasse: 150,18 g/mol
Monoisotopische Masse: 150,07931295

Namen und Bezeichner

Bevorzugter Name: (S)-(+)-2-Phenylglycine amide
IUPAC: (2S)-2-amino-2-phenylacetamide
Englischer Name: (S)-(+)-2-Phenylglycine amide
Summenformel: C8H10N2O
Molmasse: 150.18

Namen und Synonyme

6485-52-5(S)-(+)-2-PHENYLGLYCINE AMIDERefChem:407613813-110-6(S)-2-amino-2-phenylacetamide(2S)-2-Amino-2-phenylethanamide(2s)-2-amino-2-phenylacetamideL-Phenylglycinamidel-phenylglycine amideMFCD03791027(2S)-2-Amino-2-phenyl-acetamideH-Phg-NH2 Hcl

Weitere Namen anzeigen

PHG-NH2H-L-PHG-NH2 HCL(S)-PHENYLGLYCINAMIDEPHENYLGLYCINE-NH2 HCLH-PHG-NH2 HCL USP/EP/BP(S)-Aminophenylacetamide(S)-α-Aminobenzeneacetamide

(S)-2-amino-2-phenyl-acetamide(alphaS)-alpha-amino-benzeneacetamideCS-W021161AC-25880H-Phg-NH HClL-(+)-phenylglycine amideH-Phg-NH2(s)-phenylglycine amide

Datenbank-Bezeichner

CAS: 6485-52-5
PubChem CID: 729986
EC Number: 813-110-6
Nikkaji: J51.616C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 69,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 141

Physikochemische Eigenschaften

Schmelzpunkt: 131 · 131-132 °C
Siedepunkt: 322.8 · 322.8±35.0 °C(Predicted)
Dichte: 1.178 · 1.178±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: DMSO (Slightly), Ethanol (Slightly)
Aggregatzustand: Solid
pka: 15.61 · 15.61±0.50(Predicted)
Farbe: White tp Off-White
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: C1(=CC=CC=C1)[C@H](N)C(=O)N |&1:6,r|

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Skin Sens. 1 (66.7%)；Eye Irrit. 2A (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)

Sicherheitsdaten

hs_code: 2906190090
risk_code: 43
hazard_code: Xi
safety_code: 36/37

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenL-Phenylglycine Amide is a building block to synthesize selective pyrazolylpyrrole ERK inhibitors. It is also used to prepare fluorinated β-aminoacyl 1,2,4-triazolo[4,3-a]piperazine amides as dipeptidyl peptidase IV inhibitors and antidiabetic agents.