1-Boc-3-pyrrolidinol

HCID 4416939

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 103057-44-9
標準SMILES: CC(C)(C)OC(=O)N1CCC(O)C1
InChIKey: APCBTRDHCDOPNY-UHFFFAOYSA-N
分子式: C9H17NO3
平均分子量: 187.24 g/mol
単同位体質量: 187.1208434

概要

See also: tert-Butyl (3S)-3-hydroxypyrrolidine-1-carboxylate (annotation moved to).

名称と識別子

優先名称: 1-Boc-3-pyrrolidinol
IUPAC: tert-butyl 3-hydroxypyrrolidine-1-carboxylate
英語名: (9H-fluoren-9-yl)methyl 3-hydroxypyrrolidine-1-carboxylate
分子式: C19H19NO3
分子量: 309.35906

名称と別名

tert-Butyl 3-hydroxypyrrolidine-1-carboxylate1-Boc-3-pyrrolidinol3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl esterRefChem:430086600-388-7625-891-9948551-28-8103057-44-91-Boc-3-hydroxypyrrolidineN-Boc-3-hydroxypyrrolidine1-(tert-Butoxycarbonyl)-3-pyrrolidinol1-Pyrrolidinecarboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester

名称をさらに表示

(9H-fluoren-9-yl)methyl 3-hydroxypyrrolidine-1-carboxylate(9H-Fluoren-9-yl)methyl 3-hydroxypyrrolidine-1-carboxylate - [F90333]

83220-73-91-BOC-(R)-(-)-3-HYDROXYPYRROLIDINEMFCD040385353-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl esterN-Boc-3-pyrrolidinol1-tert-Butoxycarbonyl-3-hydroxypyrrolidine1,1-dimethylethyl 3-hydroxypyrrolidine-1-carboxylatetert-butyl 3-hydroxypyrrolidinecarboxylate

データベース識別子

CAS: 103057-44-9、948551-28-8
PubChem CID: 4416939
DTXSID: DTXSID90403046
EC Number: 600-388-7、625-891-9
Nikkaji: J1.320.987A

物性

構造計算による物性

XLogP: 0.6
極性表面積: 49.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 198

物理化学的性質

貯蔵温度: 2 · Storage temp. 2-8°C

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]