1-BOC-3-Aminopiperidine

HCID 545809CAS 144243-24-3

基本情報

標準SMILES: CC(C)(C)OC(=O)N1CCCC(N)C1
InChIKey: AKQXKEBCONUWCL-UHFFFAOYSA-N
分子式: C10H20N2O2
平均分子量: 200.28 g/mol
単同位体質量: 200.15247789

名称と識別子

優先名称: 1-BOC-3-Aminopiperidine
IUPAC: tert-butyl 3-aminopiperidine-1-carboxylate
英語名: 1-Boc-3-aminopiperidine
分子式: C10H20N2O2
分子量: 200.28

名称と別名

1-Boc-3-aminopiperidinetert-butyl 3-aminopiperidine-1-carboxylate144243-24-3RefChem:430075672-225-8696-144-2184637-48-7N-BOC-3-Aminopiperidine(S)-1-Boc-3-aminopiperidine3-Amino-1-N-Boc-piperidine3-Amino-1-Boc-piperidineMFCD01861219

名称をさらに表示

3-AMINO-1-TERTBUTOXYCARBONYL-PIPERIDINE1-PIPERIDINECARBOXYLIC ACID, 3-AMINO-, 1,1-DIMETHYLETHYL ESTERRelebactam impurity 43N-1-BOC-3-AMINOPIPERIDINE1-N-BOC-3-AMINOPIPERIDINEDL-3-AMINO-1-N-BOC-PIPERIDINE(+/-)-1-BOC-3-AMINO-PIPERIDINE

(+/-)-3-Amino-1-N-Boc-piperidine3-Amino-piperidine-1-carboxylic acid tert-butyl ester(R)-(-)-3-Amino-1-Boc-piperidine3-Amino-1-piperidinecarboxylic Acid tert-Butyl Ester3-Aminopiperidine-1-carboxylic acid tert-butyl ester3-Amino-1-tert-butoxycarbonylpiperidine1-Boc-3-Aminopiperidine citric acid salt3-amino-Boc-piperidine

データベース識別子

CAS: 144243-24-3、184637-48-7
PubChem CID: 545809
ChEMBL: CHEMBL4536965
EC Number: 672-225-8、696-144-2
Nikkaji: J527.167C

物性

構造計算による物性

XLogP: 0.7
極性表面積: 55.6 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: 14
形式電荷: 0
複雑度: 211

物理化学的性質

外見: 液体
色: 無色～黄色
CAS データベース: 144243 · 144243-24-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 6 件

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)

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

This chemical does not meet GHS hazard criteria for 9.1% (1 of 11) of reports.