(2S)-2-フェニル-2-アミノアセトアミド

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

HCID 729986

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6485-52-5
標準SMILES: NC(=O)[C@@H](N)c1ccccc1
InChIKey: KIYRSYYOVDHSPG-ZETCQYMHSA-N
分子式: C8H10N2O
平均分子量: 150.18 g/mol
単同位体質量: 150.07931295

名称と識別子

優先名称: (S)-(+)-2-Phenylglycine amide
IUPAC: (2S)-2-amino-2-phenylacetamide
現地名: (2S)-2-フェニル-2-アミノアセトアミド
英語名: (S)-(+)-2-Phenylglycine amide
分子式: C8H10N2O
分子量: 150.18

名称と別名

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

名称をさらに表示

L-フェニルグリシンアミド(S)-アミノフェニルアセトアミド(2S)-2-アミノ-2-フェニルアセトアミド(2S)-2-フェニル-2-アミノアセトアミド[S,(+)]-2-アミノ-2-フェニルアセトアミド(S)-フェニルグリシンアミド(S)-α-アミノベンゼンアセトアミド(2S)-2-アミノ-2-フェニルエタンアミド(S)-(+)-2-フェニルグリシンアミド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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.1
極性表面積: 69.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 141

物理化学的性質

融点: 131 · 131-132 °C
沸点: 322.8 · 322.8±35.0 °C(Predicted)
比重(密度): 1.178 · 1.178±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性: DMSO (Slightly), Ethanol (Slightly)
外見: Solid
酸解離定数(Pka): 15.61 · 15.61±0.50(Predicted)
色: 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|

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

安全データ

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

化学と産業

応用分野 · 1 件

使用L-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.