L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1)

HCID 2734892CAS 32213-95-9

基本情報

標準SMILES: COC(=O)C[C@H](N)C(=O)OC.Cl
InChIKey: PNLXWGDXZOYUKB-WCCKRBBISA-N
分子式: C6H12ClNO4
平均分子量: 197.62 g/mol

名称と識別子

優先名称: L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1)
IUPAC: dimethyl (2S)-2-aminobutanedioate;hydrochloride

名称と別名

32213-95-9RefChem:1088133L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1)H-Asp(ome)-OMe HClL-Aspartic acid dimethyl ester hydrochlorideH-Asp(OMe)-OMe.HClMFCD00038878dimethyl (2S)-2-aminobutanedioate;hydrochloride(S)-Dimethyl 2-aminosuccinate hydrochlorideL-Asparaginic Acid Dimethyl Ester HydrochlorideAKOS016842882HY-W009840

名称をさらに表示

[(2S)-1,4-dimethoxy-1,4-dioxobutan-2-yl]azanium;chlorideL-aspartic acid dimethyl ester hydrochorideM03013(S)-Aminosuccinic Acid Dimethyl Ester HydrochlorideL-Aspartic acid dimethyl ester HClL-Aspartic Acid Dimethyl Ester Hydrochloride; Dimethyl (S)-2-Aminosuccinate Hydrochloride; Dimethyl (S)-Aspartate Hydrochloride; Dimethyl Aspartate Hydrochloride; NSC 112494;aspartic acid dimethyl ester hydrochloride(S)-DIMETHYL 2-AMINOSUCCINATE HCL

データベース識別子

CAS: 32213-95-9
PubChem CID: 2734892
EC Number: 250-957-5

物性

構造計算による物性

極性表面積: 78.6 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 5
重原子数: 12
形式電荷: 0
複雑度: 157

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.