3,5-ジメチル-1H-ピラゾール-1-カルボアミジン/硝酸,(1:x)

3,5-Dimethyl-1H-pyrazole-1-carboxamidine mononitrate

HCID 198186

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 22907-04-6
標準SMILES: Cc1cc(C)n(C(=N)N)n1.O=[N+]([O-])O
InChIKey: AGYXIUAGBLMBGV-UHFFFAOYSA-N
分子式: C6H11N5O3
平均分子量: 201.18 g/mol
単同位体質量: 201.08618921

名称と識別子

優先名称: 3,5-Dimethyl-1H-pyrazole-1-carboxamidine mononitrate
IUPAC: 3,5-dimethylpyrazole-1-carboximidamide;nitric acid
現地名: 3,5-ジメチル-1H-ピラゾール-1-カルボアミジン/硝酸,(1:x)
英語名: 3,5-dimethyl-1H-pyrazole-1-carboxamidine nitrate
分子式: C6H11N5O3
分子量: 201.19

名称と別名

3,5-Dimethyl-1H-pyrazole-1-carboxamidine mononitrateRefChem:486952253-815-038184-47-33,5-Dimethylpyrazole-1-carboxamidine nitrate3,5-Dimethyl-1H-pyrazole-1-carboximidamide nitrate22907-04-61-Amidino-3,5-dimethylpyrazole nitrateMFCD000127153,5-Dimethyl-1H-pyrazole-1-carboxamidine nitrate3,5-dimethylpyrazole-1-carboximidamide;nitric acidPyrazole-1-carboxamidine, 3,5-dimethyl-, nitrate

名称をさらに表示

3,5-ジメチル-1H-ピラゾール-1-カルボアミジン/硝酸,(1:x)3,5-Dimethyl-1H-pyrazole-1-carboxamidine/nitric acid,(1:x)

1H-Pyrazole-1-carboximidamide, 3,5-dimethyl-, mononitrate3,5-Dimethyl-1-pyrazolylformaminidium nitrateNSC-544933,5-dimethyl-1H-pyrazole-1-carboximidamide; nitric acidEINECS 245-316-1SCHEMBL637677DTXSID401377509U55Y5Y836M

データベース識別子

CAS: 22907-04-6、38184-47-3
PubChem CID: 198186
DTXSID: DTXSID401377509
UNII: U55Y5Y836M
EC Number: 245-316-1、253-815-0

物性

構造計算による物性

極性表面積: 134 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 169

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.