1-エチル-1H-ピラゾール-5-アミン

1-Ethyl-1H-pyrazol-5-amine

HCID 337310CAS 3528-58-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CCn1nccc1N
InChIKey: FSJOLBAFVKSQQJ-UHFFFAOYSA-N
分子式: C5H9N3
平均分子量: 111.15 g/mol
単同位体質量: 111.0796473

名称と識別子

優先名称: 1-Ethyl-1H-pyrazol-5-amine
IUPAC: 2-ethylpyrazol-3-amine
現地名: 1-エチル-1H-ピラゾール-5-アミン
英語名: 5-Amino-1-ethylpyrazole
分子式: C5H9N3
分子量: 111.15

名称と別名

1-Ethyl-1H-pyrazol-5-amineDTXSID40320092RefChem:432341DTXCID20271215609-110-93528-58-35-Amino-1-ethylpyrazole1-Ethyl-5-aminopyrazole2-ethylpyrazol-3-amine1H-Pyrazol-5-amine, 1-ethyl-MFCD00010849C5H9N3

名称をさらに表示

1-エチル-1H-ピラゾール-5-アミン1-エチル-5-アミノピラゾール5-アミノ-1-エチル-1H-ピラゾール5-アミノ-1-エチルピラゾールAKOS B024267ART-CHEM-BB B024267TIMTEC-BB SBB0055545-Amino-1-ethylpyrazol1-ethy-pyrazol-5-aMine2-ethyl-3-pyrazolamine2-Amino-1-ethylpyrazole

NSC 354694Pyrazole, 5-amino-1-ethyl-5-Amino-1-ethyl-1H-pyrazole2-Ethyl-2H-pyrazol-3-ylamine1-Ethyl-1H-pyrazol-5-amine #PB15601AS-198021-ethylpyrazole-5-ylamine

データベース識別子

CAS: 3528-58-3
PubChem CID: 337310
DTXSID: DTXSID40320092
EC Number: 609-110-9
Nikkaji: J456.557F

物性

構造計算による物性

XLogP: 0.2
極性表面積: 43.8 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 74

物理化学的性質

融点: 52 · 52-57 °C (lit.)
沸点: 92 · 92-94 °C/0.01 mmHg (lit.)
比重(密度): 1.0671 · 1.0671 (rough estimate)
屈折率: 1.534 · 1.5340 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: solid
酸解離定数(Pka): 4.18 · 4.18±0.10(Predicted)
InChI: 1S/C5H9N3/c1-2-8-5(6)3-4-7-8/h3-4H,2,6H2,1H3
InChIKey: FSJOLBAFVKSQQJ-UHFFFAOYSA-N
SMILES: CCn1nccc1N
CAS データベース: 3528 · 3528-58-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.