Sarcosine methyl ester

HCID 83545CAS 5473-12-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CNCC(=O)OC
InChIKey: VXGABWCSZZWXPC-UHFFFAOYSA-N
分子式: C4H9NO2
平均分子量: 103.12 g/mol
単同位体質量: 103.06332853

概要

RN given refers to parent cpd

名称と識別子

優先名称: Sarcosine methyl ester
IUPAC: methyl 2-(methylamino)acetate
英語名: sarcosine methyl ester
分子式: C4H9NO2
分子量: 103.12

名称と別名

5473-12-1Sarcosine methyl esterGlycine, N-methyl-, methyl esterI682U0A29DRefChem:818075methyl 2-(methylamino)acetateMethyl methylglycinateH-Sar-Omen-methylglycine methyl esterMethyl sarcosinatemethyl n-methylglycinatemethyl (methylamino)acetate

名称をさらに表示

NSC-29650MFCD00597221NSC29650sarcosine methylesterH2N-Sar-OMemethyl(methylamino)acetateSCHEMBL208588SCHEMBL363759

データベース識別子

CAS: 5473-12-1
PubChem CID: 83545
DTXSID: DTXSID60970053
UNII: I682U0A29D
EC Number: 106-783-6
Nikkaji: J239.026D

物性

構造計算による物性

XLogP: -0.3
極性表面積: 38.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 7
形式電荷: 0
複雑度: 62.7

物理化学的性質

沸点: 118.9 · 118.9±23.0 °C(Predicted)
比重(密度): 0.964 · 0.964±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
酸解離定数(Pka): 7.44 · 7.44±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)

化学と産業

応用分野 · 1 件

使用Methyl (Methylamino)acetate is used in preparation of Spiro compounds as an Acetyl-CoA Carboxylase inhibitor or treating diseases associated with ACC activity. Also, used in preparation of Nitroxoline derivatives for treatment of infection and cancer.