N-Benzoyl-L-aspartic acid

HCID 205448CAS 17966-68-6

基本情報

標準SMILES: O=C(O)C[C@H](NC(=O)c1ccccc1)C(=O)O
InChIKey: DJLTZJGULPLVOA-QMMMGPOBSA-N
分子式: C11H11NO5
平均分子量: 237.21 g/mol
単同位体質量: 237.06372245

名称と識別子

優先名称: N-Benzoyl-L-aspartic acid
IUPAC: (2S)-2-benzamidobutanedioic acid

名称と別名

N-benzoyl-L-aspartic acid4631-12-3RefChem:1091551N-BENZOYL-ASPARTIC ACIDN-Benzoyl-DL-aspartic acid(2S)-2-benzamidobutanedioic acidbenzoyl-L-aspartic acidBz-Asp-OHMFCD01664832Benzoyl-DL-aspartic acidL-N-Benzoylaspartic acidDL-Aspartic acid, N-benzoyl-

名称をさらに表示

L-Aspartic acid, N-benzoyl-Benzoylasparaginsaurestarbld0048199(2S)-2-(PHENYLFORMAMIDO)BUTANEDIOIC ACIDSCHEMBL697053orb1985885CHEMBL3885313DTXSID10939251

データベース識別子

CAS: 17966-68-6、4631-12-3、4915-59-7
PubChem CID: 205448
DTXSID: DTXSID10939251
ChEMBL: CHEMBL3885313
EC Number: 688-923-0
Nikkaji: J438.129G

物性

構造計算による物性

XLogP: 0.3
極性表面積: 104 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 5
重原子数: 17
形式電荷: 0
複雑度: 309

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)