uspto-grants-1987_04 · 10.6084/m9.figshare.5104873.v1 · US04656308
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IDENTITY
结构与身份
- 标准SMILES
- C=CC(=O)NC(O)C(=O)OC
- InChIKey
- YJOJMHVTEACTIC-UHFFFAOYSA-N
- 分子式
- C6H9NO4
- 平均分子量
- 159.14 g/mol
- 单同位素质量
- 159.05315777
COMPUTED
结构计算性质
- XLogP
- -0.5
- 极性表面积
- 75.6 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 177
GHS
GHS分类
GHS Classification
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H340: May cause genetic defects [Danger Germ cell mutagenicity]；H350: May cause cancer [Danger Carcinogenicity]
P203, P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Not Classified
HAZARDS
危害信息
Regulatory Information
Hazard Traits - Carcinogenicity; Genotoxicity；Authoritative List - EC Annex VI CMRs - Cat. 1B；Report - if used as a fragrance or flavor ingredient
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/5141
Hazard Classes and Categories
Carcinogenicity - category 1B；Germ cell mutagenicity - category 1B；Skin corrosion - category 1B；Skin sensitisation - category 1
Carc. 1B；Muta. 1B；Skin Corr. 1B；Skin Sens. 1
REGULATORY
法规信息
Regulatory Information
Hazard Traits - Carcinogenicity; Genotoxicity；Authoritative List - EC Annex VI CMRs - Cat. 1B；Report - if used as a fragrance or flavor ingredient
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/5141
ALIASES
名称与别名
methyl 2-hydroxy-2-(1-oxo-2-propenylamino)acetateRefChem:814438403-230-377402-05-2Acetic acid, hydroxy((1-oxo-2-propenyl)amino)-, methyl esterAcetic acid, hydroxy[(1-oxo-2-propenyl)amino]-, methyl esterMethyl acrylamidoglycolateEC 403-230-3SCHEMBL3683866DTXSID60998616Methyl 2-acrylamido-2-hydroxyacetateNS00005711N-(1-Hydroxy-2-methoxy-2-oxoethyl)prop-2-enimidic acid
REACTIONS
