CAS 4023-02-3 Pyrazole-1-carboxamidine monohydrochloride (HCID 2734672)

名称と識別子

優先名称: Pyrazole-1-carboxamidine monohydrochloride
IUPAC: pyrazole-1-carboximidamide;hydrochloride
現地名: 1-アミジノピラゾール塩酸塩
英語名: 1H-Pyrazole-1-carboxamidine hydrochloride
分子式: C4H7ClN4
分子量: 146.58

名称と別名

1H-Pyrazole-1-carboxamidine hydrochloride1-Amidinopyrazole hydrochloridePyrazole-1-carboxamidine monohydrochlorideEC 429-520-1RefChem:870464429-520-1609-797-54023-02-31H-pyrazole-1-carboximidamide hydrochloridePyrazole-1-carboxamidine HydrochloridePyrazole-1-carboximidamide HydrochloridePraxadine hydrochloride

名称をさらに表示

1-アミジノピラゾール塩酸塩プラキサジン1-カルバムイミドイルピラゾール塩酸塩1-ピラゾールカルボキサミジン塩酸塩ピラゾール-1-カルボキシミドアミド塩酸塩1‐アミジノピラゾール塩酸塩1H-ピラゾール-1-カルボキシイミドアミド塩酸塩1H-ピラゾール-1-カルボキサミジン塩酸塩1H-ピラゾール-1-カルボキシアミジン塩酸塩1H-pyrazole-1-carboximidamidePraxadine1H-pyrazole-1-carboxamidinePYRAZOLE-1-CARBOXAMIDINEZanamivir EP Impurity FN-GUANYLPYRAZOLEAMIDINOPYRAZOLE HCL

1H-Pyrazole-1-carboxamidine HClMFCD00210087pyrazole-1-carboximidamide;hydrochloride1h-pyrazole-1-carboxamidine monohydrochlorideDTXSID00465171H-Pyrazole-1-carboximidamide, monohydrochloride1 -amidinopyrazole monohydrochlorideBP-12531

データベース識別子

CAS: 4023-02-3
PubChem CID: 2734672
DTXSID: DTXSID0046517
ChEMBL: CHEMBL542185
UNII: S9X3PXT9NC
EC Number: 429-520-1、609-797-5

物性

構造計算による物性

極性表面積: 67.7 Å²
水素結合供与体数: 3
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 100

物理化学的性質

融点: 167 · 167-170 °C(lit.)
貯蔵温度: Inert atmosphere,Room Temperature
外見: 結晶または結晶性粉末
色: 白色～淡黄色
水溶解度: 溶ける
BRN: 5448758 · 5448758
InChI: InChI=1S/C4H6N4.ClH/c5-4(6)8-3-1-2-7-8;/h1-3H,(H3,5,6);1H
InChIKey: RBZRMBCLZMEYEH-UHFFFAOYSA-N
SMILES: N1(C(N)=N)C=CC=N1.[H]Cl
CAS データベース: 4023 · 4023-02-3(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystals or crystalline

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Danger

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

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory InformationStatus: No longer Valid Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4369

Hazard Classes and Categories · 4 件

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

安全データ

F: 10-21
wgk: 3
hs_code: 29339900
risk_code: 36/37/38-36/37-34
hazard_code: Xi,C
safety_code: 26-37/39-45-36/37/39
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Sens. 1STOT RE 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用1H-Pyrazole-1-carboxamidine hydrochloride is a stable and versatile reagent for the efficient and chemically specific guanylation of sterically unhindered primary and secondary aliphatic amines under mild conditions. 1H-Pyrazole-1-carboxamidine hydrochloride is a useful reagent in peptide synthesis

一般的な説明1H-Pyrazole-1-carboxamidine hydrochloride, a pyrazole derivative, is a heterocyclic compound. It is widely used in drug syntheses studies. Pyrazole ring forms the main core of various nonsteroidal anti-inflammatory drugs (NSAIDs) and antihypertensive drugs.