Methyl DL-cysteinate

HCID 4040CAS 44641-43-2

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)C(N)CS
InChIKey: MCYHPZGUONZRGO-UHFFFAOYSA-N
分子式: C4H9NO2S
平均分子量: 135.19 g/mol

概要

See also: L-Cysteine, methyl ester (annotation moved to).

名称と識別子

優先名称: Methyl DL-cysteinate
IUPAC: methyl 2-amino-3-sulfanylpropanoate

名称と別名

Methyl DL-cysteinateEINECS 256-161-4RefChem:817730256-161-4Methyl 2-amino-3-sulfanylpropanoate44641-43-2methyl cysteinatecysteinmethylesterSpectrum_000586Spectrum2_000014Spectrum3_000273Spectrum4_000399

名称をさらに表示

Spectrum5_001545SCHEMBL21034BSPBio_001746KBioGR_000957KBioSS_001066DivK1c_000071SPBio_000047SCHEMBL4810972

データベース識別子

CAS: 44641-43-2
PubChem CID: 4040
EC Number: 256-161-4
Nikkaji: J342.921K

物性

構造計算による物性

XLogP: -0.5
極性表面積: 53.3 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: 8
形式電荷: 0
複雑度: 86.1

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.