CAS 352356-38-8 cis-2-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid (HCID 1512487)

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基本情報

CAS: 352356-38-8
標準SMILES: CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)O
InChIKey: QJEQJDJFJWWURK-BDAKNGLRSA-N
分子式: C12H21NO4
平均分子量: 243.3 g/mol

概要

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名称と識別子

優先名称: cis-2-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid
IUPAC: cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
英語名: (1R,2S)-Boc-2-aminocyclohexane carboxylic acid
分子式: C12H21NO4
分子量: 243.3

名称と別名

63216-49-9352356-38-8Boc-1,2-cis-ACHC-OH(1R,2S)-Boc-Achccis-2-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid(1R,2S)-Boc-2-aminocyclohexane carboxylic acidcis-2-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acidMFCD06410968(1R,2S)-2-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid(1R,2S)-2-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid(1R,2S)-2-((tert-Butoxycarbonyl)amino)cyclohexane-1-carboxylicacid

名称をさらに表示

Boc-1,2-ACHC-OH(1R,2S)N-Boc-(1R,2S)-2-aminocyclohexane-1-carboxylic acid(1R,2S)-2-(tert-butoxycarbonyl)cyclohexanecarboxylic acid(1R,2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid(1R,2S)-2-((tert-Butoxycarbonyl)amino)cyclohexane-1-carboxylicacid - [B88546]

cis-2-(Boc-amino)-cyclohexanecarboxylic acidBOC-CIS-2-AMINOCYCLOHEXANECARBOXYLIC ACID(1R,2S)-2-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEXANE-1-CARBOXYLIC ACID(1R,2S)-2-(Boc-amino)cyclohexanecarboxylic acidcis-2-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid(1R,2S)-2-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid(1r,2s)-2-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylic acidCIS-1-(T-BUTYLOXYCARBONYLAMINO)-CYCLOHEXYL-2-CARBOXYLIC ACID

物性

構造計算による物性

XLogP: 2.5
極性表面積: 75.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 295

物理化学的性質

沸点: 396.7 · 396.7±31.0 °C(Predicted)
比重(密度): 1.12 · 1.12±0.1 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 4.86 · 4.86±0.44(Predicted)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.