CAS 184357-44-6 tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate (HCID 21263232)

基本情報

CAS: 184357-44-6
標準SMILES: CC(C)(CO)CNC(=O)OC(C)(C)C
InChIKey: BHIGZYWRVWZUHG-UHFFFAOYSA-N
分子式: C10H21NO3
平均分子量: 203.28 g/mol
単同位体質量: 203.15214353

名称と識別子

優先名称: tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
IUPAC: tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
英語名: Carbamic acid, (3-hydroxy-2,2-dimethylpropyl)-, 1,1-dimethylethyl ester (9CI)
分子式: C10H21NO3
分子量: 203.28

名称と別名

TERT-BUTYL N-(3-HYDROXY-2,2-DIMETHYLPROPYL)CARBAMATERefChem:895973863-910-4184357-44-63-(Boc-amino)-2,2-dimethyl-1-propanoltert-Butyl (3-hydroxy-2,2-dimethylpropyl)carbamatetert-Butyl 3-Hydroxy-2,2-dimethylpropylcarbamateMFCD09951814Carbamic acid, (3-hydroxy-2,2-dimethylpropyl)-, 1,1-dimethylethyl ester (9CI)3-(Boc-amino)-2,2-dimethylpropanoltert-Butyl3-hydroxy-2,2-dimethylpropylcarbamateCARBAMIC ACID, (3-HYDROXY-2,2-DIMETHYLPROPYL)-, 1,1-DIMETHYLETHYL ESTER

名称をさらに表示

tert-Butyl (3-hydroxy-2,2-dimethylpropyl)tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate - [B21981]Carbamic acid, N-(3-hydroxy-2,2-dimethylpropyl)-, 1,1-dimethylethyl ester

SCHEMBL571043DTXSID80611754BHIGZYWRVWZUHG-UHFFFAOYSA-NAKOS015910349AB55261GS-60013-(Boc-amino)-22-dimethyl-1-propanolSY023898

データベース識別子

CAS: 184357-44-6
PubChem CID: 21263232
DTXSID: DTXSID80611754
EC Number: 863-910-4

物性

構造計算による物性

XLogP: 1.4
極性表面積: 58.6 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 14
形式電荷: 0
複雑度: 194

物理化学的性質

沸点: 311 · 311.0±25.0 °C(Predicted)
比重(密度): 0.998 · 0.998±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 12.67 · 12.67±0.46(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

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.