5-アミノ-1-メチル-1H-ピラゾール-4-カルボン酸

5-amino-1-methyl-1H-pyrazole-4-carboxylic acid

HCID 313342CAS 4058-91-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Cn1ncc(C(=O)O)c1N
InChIKey: NVRCXLPKLCKSSN-UHFFFAOYSA-N
分子式: C5H7N3O2
平均分子量: 141.13 g/mol
単同位体質量: 141.05382646

名称と識別子

優先名称: 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid
IUPAC: 5-amino-1-methylpyrazole-4-carboxylic acid
現地名: 5-アミノ-1-メチル-1H-ピラゾール-4-カルボン酸
英語名: 1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-(9CI)
分子式: C5H7N3O2
分子量: 141.13

名称と別名

5-amino-1-methyl-1H-pyrazole-4-carboxylic acidDTXSID10310440RefChem:532033DTXCID30261566692-031-74058-91-75-Amino-1-methylpyrazole-4-carboxylic acidMFCD00973833SCHEMBL535661STK936436AKOS001312264AC-3059

名称をさらに表示

5-アミノ-1-メチル-1H-ピラゾール-4-カルボン酸EOS-618075-Amino-4-carboxy-1-methyl-1H-pyrazole5-Amino-1-methylpyrazole-4-carboxylicAci5-azanyl-1-methyl-pyrazole-4-carboxylic acid5-AMino-1-Methyl-1H-pyrazole-4-carboxylic acid Methyl ester1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-(9CI) USP/EP/BP

AS-5653MB01617SY0037111H-Pyrazole-4-carboxylic acid, 5-amino-1-methyl-1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-(9CI)NSC2272305-amino-1-methyl-pyrazole-4-carboxylic acid5-amino-1-methyl-1H-Pyrazole-4-carboxylicacid

データベース識別子

CAS: 4058-91-7
PubChem CID: 313342
DTXSID: DTXSID10310440
EC Number: 692-031-7

物性

構造計算による物性

XLogP: 0
極性表面積: 81.1 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: 1
重原子数: 10
形式電荷: 0
複雑度: 150

物理化学的性質

沸点: 371.3 · 371.3±27.0 °C(Predicted)
比重(密度): 1.56 · 1.56±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 4.62 · 4.62±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (75%)

安全データ

hs_code: 2933199090

化学と産業

サプライヤー50 社

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]