1-(BOC-アミノ)シクロヘキサンカルボン酸

1-((Tert-butoxycarbonyl)amino)cyclohexanecarboxylic acid

HCID 2794744

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 115951-16-1
標準SMILES: CC(C)(C)OC(=O)NC1(C(=O)O)CCCCC1
InChIKey: URBHKVWOYIMKNO-UHFFFAOYSA-N
分子式: C12H21NO4
平均分子量: 243.3 g/mol
単同位体質量: 243.14705815

名称と識別子

優先名称: 1-((Tert-butoxycarbonyl)amino)cyclohexanecarboxylic acid
IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
現地名: 1-(BOC-アミノ)シクロヘキサンカルボン酸
英語名: 1-TERT-BUTOXYCARBONYLAMINO-CYCLOHEXANECARBOXYLIC ACID
分子式: C12H21NO4
分子量: 243.3

名称と別名

1-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylic acid1-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acidRefChem:419127806-728-2115951-16-11-(Boc-amino)cyclohexanecarboxylic acidMFCD002734271-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid1-tert-Butoxycarbonylamino-cyclohexanecarboxylic acidCyclohexanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic AcidBoc-1-aminocyclohexane-1-carboxylic acid

名称をさらに表示

1-(BOC-アミノ)シクロヘキサンカルボン酸BOC-1-アミノシクロヘキサン-1-カルボン酸RARECHEM EM WB 0029BOC-CYCLOHOMOLEUCINEBOC-HOMOCYCLOLEUCINEAmbroxol Impurity 125N-BOC-AMINOCYCLOHEXYLCARBOXYLIC ACIDBOC-1-AMINOCYCLOHEXANECARBOXYLIC ACIDN-Boc-1-Aminocyclohexanecarboxylic acid

1-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylic acid1-(tert-butoxycarbonylamino)cyclohexanecarboxylic acid1-(Boc-amino)-cyclohexanecarboxylic acid1-((tert-Butoxycarbonyl)amino)cyclohexane-1-carboxylic acidboc-1-aminocyclohexane carboxylic acid1-(Boc-amino)cyclohexanecarboxylicAcidBOC-NH(1)CHEX-OHSCHEMBL496169

データベース識別子

CAS: 115951-16-1
PubChem CID: 2794744
DTXSID: DTXSID50383370
EC Number: 806-728-2
Nikkaji: J1.294.294J

物性

構造計算による物性

XLogP: 2.1
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: 300

物理化学的性質

融点: 176 · 176-178 °C (dec.)
貯蔵温度: Sealed in dry,Room Temperature
外見: solid
色: White
BRN: 4189683 · 4189683
主な用途: ペプチド合成
InChI: 1S/C12H21NO4/c1-11(2,3)17-10(16)13-12(9(14)15)7-5-4-6-8-12/h4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKey: URBHKVWOYIMKNO-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)NC1(CCCCC1)C(O)=O
CAS データベース: 115951 · 115951-16-1(CAS DataBase Reference)

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

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.