基本情報
- CAS
870632-89-6- 標準SMILES
CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1O- InChIKey
QAZVTJCOYJOJGO-RNFRBKRXSA-N- 分子式
- C9H18N2O3
- 平均分子量
- 202.25 g/mol
- 単同位体質量
- 202.13174244
名称と識別子
- 優先名称
- (3R,4R)-(4-Hydroxy-pyrrolidin-3-yl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate
名称と別名
1203566-77-1(3R,4R)-(4-Hydroxy-pyrrolidin-3-yl)-carbamic acid tert-butyl estertert-butyl ((3R,4R)-4-hydroxypyrrolidin-3-yl)carbamatetert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate870632-89-6MFCD22399082(3R,4R)-3-(N-Boc)amino-4-hydroxypyrrolidinerel-tert-butyl ((3R,4R)-4-hydroxypyrrolidin-3-yl)carbamate[(3r,4r)-4-hydroxypyrrolidin-3-yl]carbamic acid tert-butyl estertert-Butyl (3R,4R)-4-hydroxypyrrolidin-3-ylcarbamatetrans-3-(Boc-amino)-4-hydroxypyrrolidineTrans-(4-hydroxy-pyrrolidin-3-yl)-carbamic acid tert-butyl ester
名称をさらに表示
(3R,4R)-3-(Boc-amino)-4-hydroxypyrrolidinetert-butyl (trans-4-hydroxypyrrolidin-3-yl)carbamatetert-butyl [trans-4-hydroxypyrrolidin-3-yl]carbamateSCHEMBL12719191QAZVTJCOYJOJGO-RNFRBKRXSA-NAKOS027469885AT20585BS-51619
データベース識別子
- CAS
870632-89-6- PubChem CID
- 59640689
- EC Number
- 176-812-5
物性
構造計算による物性
- XLogP
- -0.3
- 極性表面積
- 70.6 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 213
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
関連反応
3 件
化合物ノート
読み込み中…