CAS 152537-03-6 tert-Butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate (HCID 22594530)

基本情報

CAS: 152537-03-6
標準SMILES: CC(C)(C)OC(=O)N1CC(CCO)C1
InChIKey: PIEFOIGZJZFQQJ-UHFFFAOYSA-N
分子式: C10H19NO3
平均分子量: 201.26 g/mol
単同位体質量: 201.13649347

名称と識別子

優先名称: tert-Butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate
IUPAC: tert-butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate
現地名: 3-(2-ヒドロキシエチル)アゼチジン-1-カルボン酸TERT-ブチル
英語名: TERT-BUTYL 3-(2-HYDROXYETHYL)AZETIDINE-1-CARBOXYLATE
分子式: C10H19NO3
分子量: 201.26

名称と別名

152537-03-6TERT-BUTYL 3-(2-HYDROXYETHYL)AZETIDINE-1-CARBOXYLATEDTXSID10626710RefChem:188188DTXCID40577463812-604-9MFCD106992801-BOC-3-(2-HYDROXYETHYL)AZETIDINE1-BOC-3-(HYDROXYETHYL)AZETIDINE3-(2-HYDROXY-ETHYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERSCHEMBL12771821-AZETIDINECARBOXYLIC ACID, 3-(2-HYDROXYETHYL)-, 1,1-DIMETHYLETHYL ESTER

名称をさらに表示

3-(2-ヒドロキシエチル)アゼチジン-1-カルボン酸TERT-ブチル3-(2-ヒドロキシエチル)-1-アゼチジンカルボン酸TERT-ブチル1-Boc-3-(hydroxyethyl)aze...N-Boc-2-(azetidin-3-yl)ethanol(2E)-3-(5-methyl-13-furyl)acrylic acidtert-butyl 3-(2-hydroxyethyl)azetidine-1-carboxyl3-(2-hydroxyethyl)-1-azetidinecarboxylic acid tert-butyl estertert-Butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate - [B0298]1-Azetidinecarboxylic acid, 3-(2-hydroxyethyl)-, 1,1-dimethy...

AKOS016008649AS-32887SY032526BCP21214FT-0684760orb31758353-(2-HYDRPB31502

データベース識別子

CAS: 152537-03-6
PubChem CID: 22594530
DTXSID: DTXSID10626710
EC Number: 812-604-9

物性

構造計算による物性

XLogP: 0.8
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: 4
重原子数: 14
形式電荷: 0
複雑度: 204

物理化学的性質

沸点: 287.4 · 287.4±13.0 °C(Predicted)
比重(密度): 1.092 · 1.092±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 15.05 · 15.05±0.10(Predicted)
外見: oil
色: Yellow
InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-8(7-11)4-5-12/h8,12H,4-7H2,1-3H3
InChIKey: PIEFOIGZJZFQQJ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC(CCO)C1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.