CAS 859155-89-8 2-(4-((Tert-butoxy)carbonyl)morpholin-3-yl)acetic acid (HCID 22487663)

基本情報

CAS: 859155-89-8
標準SMILES: CC(C)(C)OC(=O)N1CCOCC1CC(=O)O
InChIKey: QVOPNRRQHPWQMF-UHFFFAOYSA-N
分子式: C11H19NO5
平均分子量: 245.27 g/mol
単同位体質量: 245.12632271

名称と識別子

優先名称: 2-(4-((Tert-butoxy)carbonyl)morpholin-3-yl)acetic acid
IUPAC: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid
現地名: 4-N-BOC-モルホリン-3-酢酸
英語名: 3-Carboxymethyl-morpholine-4-carboxylic acid tert-butyl ester
分子式: C11H19NO5
分子量: 245.27

名称と別名

2-{4-[(tert-butoxy)carbonyl]morpholin-3-yl}acetic acid2-(4-((Tert-butoxy)carbonyl)morpholin-3-yl)acetic acid2-(4-[(tert-butoxy)carbonyl]morpholin-3-yl)acetic acidRefChem:456150675-949-2859155-89-84-Boc-3-Carboxymethylmorpholine4-N-Boc-morpholine-3-acetic acid3-Carboxymethyl-morpholine-4-carboxylic acid tert-butyl ester2-(4-(tert-butoxycarbonyl)morpholin-3-yl)acetic acid4-boc-morpholine-3-acetic acidMFCD04114891

名称をさらに表示

4-N-BOC-モルホリン-3-酢酸N-Boc-3-morpholineacetic acid4-Boc-3-morpholineacetic acid3-Morpholineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-

2-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid[4-(tert-butoxycarbonyl)morpholin-3-yl]acetic acid2-[(3R)-4-tert-butoxycarbonylmorpholin-3-yl]acetic acid2-(4-tert-butoxycarbonylmorpholin-3-yl)acetic acidSCHEMBL51948384-[(1,1-dimethylethoxy)carbonyl]-3-morpholineacetic acidDTXSID60626109QVOPNRRQHPWQMF-UHFFFAOYSA-N

データベース識別子

CAS: 859155-89-8
PubChem CID: 22487663
DTXSID: DTXSID60626109
EC Number: 675-949-2

物性

構造計算による物性

XLogP: 0.3
極性表面積: 76.1 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 297

物理化学的性質

沸点: 388.2 · 388.2±27.0 °C(Predicted)
比重(密度): 1.179 · 1.179±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 4.6 · 4.60±0.10(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)

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2934999090
hazard_class: IRRITANT

化学と産業

サプライヤー40 社

上海康恩博医药科技有限公司17510465506 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]

化合物ノート

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