CAS 177948-02-6 tert-butyl N-((4-hydroxypiperidin-4-yl)methyl)carbamate (HCID 10868112)

基本情報

CAS: 177948-02-6
標準SMILES: CC(C)(C)OC(=O)NCC1(O)CCNCC1
InChIKey: ZVUCOORWSKRJII-UHFFFAOYSA-N
分子式: C11H22N2O3
平均分子量: 230.3 g/mol
単同位体質量: 230.16304256

名称と識別子

優先名称: tert-butyl N-((4-hydroxypiperidin-4-yl)methyl)carbamate
IUPAC: tert-butyl N-[(4-hydroxypiperidin-4-yl)methyl]carbamate
現地名: 4-(BOC-アミノメチル)-4-ヒドロキシピペリジン
英語名: 4-(Boc-aMinoMethyl)-4-hydroxypiperidine
分子式: C11H22N2O3
分子量: 230.3

名称と別名

tert-butyl N-[(4-hydroxypiperidin-4-yl)methyl]carbamate1,1-Dimethylethyl N-[(4-hydroxy-4-piperidinyl)methyl]carbamatetert-butyl N-((4-hydroxypiperidin-4-yl)methyl)carbamate1,1-Dimethylethyl N-((4-hydroxy-4-piperidinyl)methyl)carbamateRefChem:895088960-346-1177948-02-64-(Boc-aminomethyl)-4-hydroxypiperidineMFCD09753931tert-Butyl ((4-hydroxypiperidin-4-yl)methyl)carbamatetert-butyl [(4-hydroxypiperidin-4-yl)methyl]carbamateTert-butyl N-[(4-hydroxy-4-piperidyl)methyl]carbamate

名称をさらに表示

4-(BOC-アミノメチル)-4-ヒドロキシピペリジン(4-ヒドロキシピペリジン-4-イルメチル)カルバミド酸tert-ブチルtert-ブチル N-[(4-ヒドロキシピペリジン-4-イル)メチル]カルバマート4-[(Boc-amino)methyl]-4-piperidinolCarbamic acid, [(4-hydroxy-4-piperidinyl)methyl]-, 1,1-dimethylethylester

Carbamic acid, N-[(4-hydroxy-4-piperidinyl)methyl]-, 1,1-dimethylethyl ester4-[(t-butoxycarbonylamino)methyl]-4-hydroxypiperidineSCHEMBL2348782ZVUCOORWSKRJII-UHFFFAOYSA-NDTXSID201179644CHA94802(4-HYDROXY-PIPERIDIN-4-YLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTERAKOS023818197

データベース識別子

CAS: 177948-02-6
PubChem CID: 10868112
DTXSID: DTXSID201179644
EC Number: 960-346-1
Nikkaji: J1.224.051A

物性

構造計算による物性

XLogP: 0.2
極性表面積: 70.6 Å²
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: 4
重原子数: 16
形式電荷: 0
複雑度: 242

物理化学的性質

貯蔵温度: 2 · 2-8°C(protect from light)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.