4-ベンジル-2-モルホリンカルボン酸塩酸塩

4-Benzylmorpholine-2-carboxylic acid hydrochloride

HCID 2776352CAS 135072-15-0

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.O=C(O)C1CN(Cc2ccccc2)CCO1
InChIKey: CEDXMALCJZSQHA-UHFFFAOYSA-N
分子式: C12H16ClNO3
平均分子量: 257.71 g/mol
単同位体質量: 257.08187105

名称と識別子

優先名称: 4-Benzylmorpholine-2-carboxylic acid hydrochloride
IUPAC: 4-benzylmorpholine-2-carboxylic acid;hydrochloride
現地名: 4-ベンジル-2-モルホリンカルボン酸塩酸塩
英語名: 4-BENZYL-2-MORPHOLINECARBOXYLIC ACID HYDROCHLORIDE
分子式: C12H16ClNO3
分子量: 257.71

名称と別名

4-Benzylmorpholine-2-carboxylic acid hydrochlorideRefChem:518506691-133-9135072-15-04-Benzyl-2-morpholinecarboxylic Acid HydrochlorideMFCD026820314-benzylmorpholine-2-carboxylic acid;hydrochlorideCS-W002954TS-034704-BENZYL-2-MORPHOLINECARBOXYLIC ACID HCl2-Morpholinecarboxylic acid, 4-(phenylmethyl)-, hydrochloride4-Benzylmorpholine-2-carboxylicacidhydrochloride

名称をさらに表示

4-ベンジル-2-モルホリンカルボン酸塩酸塩4‐ベンジル‐2‐モルホリンカルボン酸塩酸塩4-Benzyl-2-morpholinecarboxylicacidHCl4-Benzyl-2-carboxymorpholine hydrochlorideBENZYL(N-)-MORPHOLINE-2-CARBOXYLIC ACID HCL4-Benzylmorpholine-2-carboxylicacidhydrochloride,97%4-Benzyl-2-morpholinecarboxylic acid hydrochloride, 90+%4-Benzyl-2-carboxymorpholine hydrochloride, 10 mM in DMSO4-(phenylmethyl)-2-Morpholinecarboxylic acid hydrochloride (1:1)

4-Benzyl-morpholine-2-carboxylic acid hydrochlorideSCHEMBL917642orb1220148orb1298953DTXSID30380009CEDXMALCJZSQHA-UHFFFAOYSA-NSBB101921AKOS015847212

データベース識別子

CAS: 135072-15-0
PubChem CID: 2776352
DTXSID: DTXSID30380009
EC Number: 691-133-9

物性

構造計算による物性

極性表面積: 49.8 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: 3
重原子数: 17
形式電荷: 0
複雑度: 238

物理化学的性質

融点: 244 °C · 244 °C
貯蔵温度: Sealed in dry,Room Temperature
外見: solid
色: Brown

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.