CAS 343788-69-2 tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate (HCID 11310432)

基本情報

CAS: 343788-69-2
標準SMILES: CC1(N)CCN(C(=O)OC(C)(C)C)CC1
InChIKey: DMBKWEHXTOCLTC-UHFFFAOYSA-N
分子式: C11H22N2O2
平均分子量: 214.3 g/mol
単同位体質量: 214.16812794

名称と識別子

優先名称: tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate
IUPAC: tert-butyl 4-amino-4-methylpiperidine-1-carboxylate
現地名: TERT-ブチル 4-アミノ-4-メチルピペリジン-1-カルボキシレート
英語名: 4-Amino-1-n-butoxycarbonyl-4-methyl-piperidine
分子式: C11H22N2O2
分子量: 214.31

名称と別名

343788-69-2tert-butyl 4-amino-4-methylpiperidine-1-carboxylateDTXSID30461948RefChem:383580DTXCID20412767674-596-11-Boc-4-Amino-4-methylpiperidine4-amino-1-n-butoxycarbonyl-4-methyl-piperidineMFCD032654974-Amino-4-methyl-1-Boc-piperidine4-Amino-4-methyl-1-piperidinecarboxylic acid tert-butyl ester4-amino-4-methyl-piperidine-1-carboxylic acid tert-butyl ester

名称をさらに表示

TERT-ブチル 4-アミノ-4-メチルピペリジン-1-カルボキシレート4-アミノ-4-メチルピペリジン-1-カルボン酸TERT-ブチル4-Amino-1-Boc-4-methylpip...TERT-BUTYL-4-AMINO-4-METHYLPIPN-Boc-4-amino-4-methylpiperidine1-BOC-4-AMINO-4-METHYL PIPERADINE4-AMINO-4-METHYL-N-BOC-PIPERIDINE4-Amino-1-N-boc-4-methyl-piperidine

tert-butyl 4-amino-4-methyl-1-piperidinecarboxylateLCZC27981-Piperidinecarboxylic acid, 4-amino-4-methyl-, 1,1-dimethylethyl ester1-N-Boc-4-amino-4-methylpiperidine4-amino-4-methyl-4-AMINO-1-BOC-4-METHYLPIPERIDINESCHEMBL182080DMBKWEHXTOCLTC-UHFFFAOYSA-N

物性

構造計算による物性

XLogP: 0.9
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: 15
形式電荷: 0
複雑度: 237

物理化学的性質

沸点: 283 ℃ · 283℃
比重(密度): 1.017 · 1.017
闪点: 125 ℃ · 125℃
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 9.77 · 9.77±0.20(Predicted)

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.