4-メチル-5-オキサゾールカルボアミド

4-Methyloxazole-5-carboxamide

HCID 78581CAS 4866-00-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ncoc1C(N)=O
InChIKey: HBKBZJZRIWAICY-UHFFFAOYSA-N
分子式: C5H6N2O2
平均分子量: 126.11 g/mol
単同位体質量: 126.04292743

名称と識別子

優先名称: 4-Methyloxazole-5-carboxamide
IUPAC: 4-methyl-1,3-oxazole-5-carboxamide
現地名: 4-メチル-5-オキサゾールカルボアミド
英語名: 4-Methyl-oxazole-5-carboxylic acid amide
分子式: C5H6N2O2
分子量: 126.11

名称と別名

4-Methyloxazole-5-carboxamide4866-00-6EINECS 225-472-75-Carbamoyl-4-methyloxazoleDTXSID30197573EC 225-472-7RefChem:525631DTXCID90120064225-472-74-Methyl-1,3-oxazole-5-carboxamide5-Oxazolecarboxamide,4-methyl-4-Methyl-oxazole-5-carboxylic acid amide

名称をさらに表示

4-メチル-5-オキサゾールカルボアミド4-メチル-1,3-オキサゾール-5-カルボキサミド4-Methyl-5-oxazolecarboxamide

MFCD004648215-Oxazolecarboxamide, 4-methyl-SCHEMBL2139234Oxazole-5-carboxamide, 4-methyl-AKOS0049068184-methyloxazole-5-carboxylic acid amide4-Methyl-1,3-oxazole-5-carboxamide #DB-427683

データベース識別子

CAS: 4866-00-6
PubChem CID: 78581
DTXSID: DTXSID30197573
EC Number: 225-472-7
Nikkaji: J262.502D

物性

構造計算による物性

XLogP: -0.1
極性表面積: 69.1 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: 9
形式電荷: 0
複雑度: 126

物理化学的性質

融点: 197 · 197-198 °C
沸点: 260.1 · 260.1±28.0 °C(Predicted)
比重(密度): 1 · 1+-.0.06 g/cm3(Predicted)
酸解離定数(Pka): 14.51 · 14.51±0.50(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 05-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29730

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

安全データ

hs_code: 2934999090

化学と産業

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