2-chloro-N-methyl-5-nitropyrimidin-4-amine

HCID 7147232CAS 89283-49-8

基本情報

標準SMILES: CNc1nc(Cl)ncc1[N+](=O)[O-]
InChIKey: POTFNHOCCZSOOA-UHFFFAOYSA-N
分子式: C5H5ClN4O2
平均分子量: 188.57 g/mol
単同位体質量: 188.01010308

名称と識別子

優先名称: 2-chloro-N-methyl-5-nitropyrimidin-4-amine
IUPAC: 2-chloro-N-methyl-5-nitropyrimidin-4-amine
英語名: 2-chloro-N-methyl-5-nitropyrimidin-4-amine
分子式: C5H5ClN4O2
分子量: 188.57

名称と別名

2-chloro-N-methyl-5-nitropyrimidin-4-amine89283-49-8DTXSID604280692-chloro-N-methyl-5-nitro-4-pyrimidinamineRefChem:470319DTXCID50378903996-868-12-Chloro-4-(methylamino)-5-nitropyrimidine(2-Chloro-5-nitro-pyrimidin-4-yl)-methyl-amineMFCD07440210CHEMBL4226348SCHEMBL4867295

名称をさらに表示

AKOS A0602-06344-Pyrimidinamine, 2-chloro-N-methyl-5-nitro-

POTFNHOCCZSOOA-UHFFFAOYSA-NPDA28349BDBM50461121AKOS000320554AB420302-chloro-4-methylamino-5-nitropyrimidineSY0386662-chloro-4-methylamino-5-nitro-pyrimidine

データベース識別子

CAS: 89283-49-8
PubChem CID: 7147232
DTXSID: DTXSID60428069
ChEMBL: CHEMBL4226348
EC Number: 996-868-1

物性

構造計算による物性

XLogP: 1.9
極性表面積: 83.6 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 173

物理化学的性質

貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.