N,N-ジメチルオキサミン酸

N,N-Dimethyloxamic acid

HCID 2760995

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 32833-96-8
標準SMILES: CN(C)C(=O)C(=O)O
InChIKey: YKFGLGXRUVEMNF-UHFFFAOYSA-N
分子式: C4H7NO3
平均分子量: 117.1 g/mol
単同位体質量: 117.04259308

名称と識別子

優先名称: N,N-Dimethyloxamic acid
IUPAC: 2-(dimethylamino)-2-oxoacetic acid
現地名: N,N-ジメチルオキサミン酸
英語名: N,N-DIMETHYLOXAMICACID
分子式: C4H7NO3
分子量: 117.1

名称と別名

N,N-Dimethyloxamic acidDTXSID40375466RefChem:1090592DTXCID6032649532833-96-82-(dimethylamino)-2-oxoacetic acid(dimethylcarbamoyl)formic acidN,N-DIMETHYLOXAMICACIDMFCD01971023(Dimethylamino)(oxo)acetic acidAcetic acid, (dimethylamino)oxo-N,N-Dimethyloxamidic Acid

名称をさらに表示

N,N-ジメチルオキサミン酸N,N-ジメチルオキサミド酸N,N-dimethyl oxalic acidN,N-DimethyloxamicAcid>(Dimethylamino)(oxo)acetic acidAcetic acid, 2-(dimethylamino)-2-oxo-(Dimethylamino)(oxo)acetic acid, 2-(Dimethylamino)-2-oxoethanoic acid, Oxalic acid dimethylamide

Dimethyloxalamic acidN,N-Dimethyl-oxalamic acidA821448SCHEMBL52024YKFGLGXRUVEMNF-UHFFFAOYSA-NN,N-dimethyloxamic acid, AldrichCPR2-(dimethylamino)-2-oxo-acetic acid2-(Dimethylamino);-2-oxoacetic acid

データベース識別子

CAS: 32833-96-8
PubChem CID: 2760995
DTXSID: DTXSID40375466
EC Number: 674-326-2
Nikkaji: J829.044J

物性

構造計算による物性

XLogP: -0.3
極性表面積: 57.6 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: 1
重原子数: 8
形式電荷: 0
複雑度: 118

物理化学的性質

融点: 114 · 114-118°C
沸点: 210.8 · 210.8±23.0 °C(Predicted)
比重(密度): 1.251 · 1.251±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 3.13 · 3.13±0.40(Predicted)
色: White to Almost white
InChIKey: YKFGLGXRUVEMNF-UHFFFAOYSA-N

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.