IDENTITY
结构与身份
- 标准SMILES
- CO[C@@H]1CNC[C@H]1NC(=O)OC(C)(C)C
- InChIKey
- PIGDOXPNNMFBNA-HTQZYQBOSA-N
- 分子式
- C10H20N2O3
- 平均分子量
- 216.28 g/mol
- 单同位素质量
- 216.1473925
COMPUTED
结构计算性质
- XLogP
- 0.3
- 极性表面积
- 59.6 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 225
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
128739-92-4rac-tert-butyl N-[(3R,4R)-4-methoxypyrrolidin-3-yl]carbamaterac-tert-butyl N-((3R,4R)-4-methoxypyrrolidin-3-yl)carbamateRefChem:875041966-185-31932066-52-8tert-butyl N-[(3R,4R)-4-methoxypyrrolidin-3-yl]carbamatetrans-3-(Boc-amino)-4-methoxypyrrolidineMFCD22399084tert-Butyl ((3R,4R)-4-methoxypyrrolidin-3-yl)carbamate(3R,4R)-3-(Boc-amino)-4-methoxypyrrolidineCarbamic acid, N-[(3R,4R)-4-methoxy-3-pyrrolidinyl]-, 1,1-dimethylethyl ester, rel-SCHEMBL21585804PIGDOXPNNMFBNA-HTQZYQBOSA-NPS-20594SY249980CS-0185119P18884EN300-7395249F625956
REACTIONS
参与反应
当前筛选下没有反应记录。