Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- CC(N)C(N)=O
- InChIKey
- HQMLIDZJXVVKCW-UHFFFAOYSA-N
- 分子式
- C3H8N2O
- 平均分子量
- 88.11 g/mol
- 单同位素质量
- 88.06366288
COMPUTED
结构计算性质
- XLogP
- -1.4
- 极性表面积
- 69.1 Ų
- 氢键供体
- 2
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 6
- 形式电荷
- 0
- 复杂度
- 61
GHS
GHS分类
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
HAZARDS
危害信息
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
ALIASES
名称与别名
2-aminopropanamide4726-84-5Propanamide, 2-amino-2-aminopropionamideDL-AlanylamideAlaninamide, DL-11A1TLN9SFUNII-11A1TLN9SFNSC-509293DTXSID70325499NSC 509293RefChem:197675DTXCID90276616817-103-9DL-ALANINAMIDEMFCD07841687Alaninamidealpha-aminopropionamide(2s)-2-amino-propionamideSCHEMBL43024
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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