CAS 90711-56-1 N-[(allyloxy)carbonyl]glycine (HCID 11964402)

基本情報

CAS: 90711-56-1
標準SMILES: C=CCOC(=O)NCC(=O)O
InChIKey: ZNUQQBSUOAMEBA-UHFFFAOYSA-N
分子式: C6H9NO4
平均分子量: 159.14 g/mol
単同位体質量: 159.05315777

名称と識別子

優先名称: N-[(allyloxy)carbonyl]glycine
IUPAC: 2-(prop-2-enoxycarbonylamino)acetic acid
英語名: N-{[(Prop-2-en-1-yl)oxy]carbonyl}glycine, ({[(Prop-2-en-1-yl)oxy]carbonyl}amino)acetic acid
分子式: C6H9NO4
分子量: 159.14

名称と別名

N-[(Allyloxy)carbonyl]glycineN-((allyloxy)carbonyl)glycineRefChem:823156821-782-7Alloc-Gly-OH90711-56-1allyloxycarbonylaminoacetic acid((Allyloxy)carbonyl)glycineMFCD020944112-(prop-2-enoxycarbonylamino)acetic AcidN-allyloxycarbonyl glycineN-Allyloxycarbonyl-glycine

名称をさらに表示

((allyloxy)carbonyl)glycylglycineN-α-AllyloxycarbonylglycineGlycine, N-[(2-propen-1-yloxy)carbonyl]-

N-(allyloxycarbonyl)glycine2-{[(prop-2-en-1-yloxy)carbonyl]amino}acetic acidN-{[(Prop-2-en-1-yl)oxy]carbonyl}glycine, ({[(Prop-2-en-1-yl)oxy]carbonyl}amino)acetic acidAloc-Gly-OHN-alpha-AllyloxycarbonylglycineAllocGlyOH2-[{(allyloxy)carbonyl}amino]acetic acidN-allyloxycarbonylglycine

データベース識別子

CAS: 90711-56-1
PubChem CID: 11964402
DTXSID: DTXSID80474881
EC Number: 821-782-7

物性

構造計算による物性

XLogP: 0.2
極性表面積: 75.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 11
形式電荷: 0
複雑度: 166

物理化学的性質

融点: 30 · 30-33 °C
沸点: 155 · 155-158 °C(Press: 1 Torr)
比重(密度): 1.227 · 1.227±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, stored under nitrogen
酸解離定数(Pka): 3.97 · 3.97±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.