CAS 285984-25-0 3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amine (HCID 2974132)

基本情報

CAS: 285984-25-0
標準SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1
InChIKey: ITHNHEWXIBNEDG-UHFFFAOYSA-N
分子式: C14H19N3
平均分子量: 229.32 g/mol
単同位体質量: 229.15789761

名称と識別子

優先名称: 3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amine
IUPAC: 3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine
現地名: 5-TERT-ブチル-2-P-トリル-2H-ピラゾール-3-イルアミン
英語名: 5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-ylamine
分子式: C14H19N3
分子量: 229.32

名称と別名

285984-25-03-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amineDTXSID70388044RefChem:282651DTXCID20339066827-657-35-tert-Butyl-2-p-tolyl-2H-pyrazol-3-ylamine3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-amine3-tert-butyl-1-p-tolyl-1H-pyrazol-5-amine5-tert-butyl-2-(4-methylphenyl)pyrazol-3-amineMFCD041150901H-PYRAZOL-5-AMINE, 3-(1,1-DIMETHYLETHYL)-1-(4-METHYLPHENYL)-

名称をさらに表示

5-TERT-ブチル-2-P-トリル-2H-ピラゾール-3-イルアミン1-(4-メチルフェニル)-3-tert-ブチル-5-アミノ-1H-ピラゾール3-tert-ブチル-1-(4-メチルフェニル)-1H-ピラゾール-5-アミンZINC02527276BUTTPARK 74\09-045-t-butyl-2-p-tolyl-2H-pyrazol-3-ylamine3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-ylamine3-TERT-BUTYL-1-(P-TOLYL)-1H-PYRAZOLE-5-AMINE5-tert-butyl-2-(4-methylphenyl)-3-pyrazolamine

5-Amino-3-t-butyl-1-p-tolyl-pyrazole3-(1,1-DIMETHYLETHYL)-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-AMINESR-010002948335-tert-butyl-2-(p-tolyl)pyrazol-3-amineSCHEMBL366727ITHNHEWXIBNEDG-UHFFFAOYSA-NALBB-014966STK234818

物性

構造計算による物性

XLogP: 3.6
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: 2
重原子数: 17
形式電荷: 0
複雑度: 251

物理化学的性質

沸点: 368.3 · 368.3±37.0 °C(Predicted)
比重(密度): 1.06 · 1.06±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: solid
酸解離定数(Pka): 4.17 · 4.17±0.10(Predicted)
InChI: InChI=1S/C14H19N3/c1-10-5-7-11(8-6-10)17-13(15)9-12(16-17)14(2,3)4/h5-9H,15H2,1-4H3
InChIKey: ITHNHEWXIBNEDG-UHFFFAOYSA-N
SMILES: N1(C2=CC=C(C)C=C2)C(N)=CC(C(C)(C)C)=N1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P271, P280, P301+P317, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.