1-(TERT-ブチル)-3-メチル-1H-ピラゾール-5-イルアミン

1-tert-Butyl-3-methyl-1H-pyrazol-5-amine

HCID 737200

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 141459-53-2
標準SMILES: Cc1cc(N)n(C(C)(C)C)n1
InChIKey: CMPRMWFPGYBHTQ-UHFFFAOYSA-N
分子式: C8H15N3
平均分子量: 153.22 g/mol
単同位体質量: 153.12659748

名称と識別子

優先名称: 1-tert-Butyl-3-methyl-1H-pyrazol-5-amine
IUPAC: 2-tert-butyl-5-methylpyrazol-3-amine
現地名: 1-(TERT-ブチル)-3-メチル-1H-ピラゾール-5-イルアミン
英語名: 1-(tert-Butyl)-3-methyl-1H-pyrazol-5-ylamine
分子式: C8H15N3
分子量: 153.22

名称と別名

141459-53-21-tert-butyl-3-methyl-1H-pyrazol-5-amineDTXSID10353195RefChem:235401DTXCID60304258673-593-21-(tert-butyl)-3-methyl-1H-pyrazol-5-amine1-(tert-butyl)-3-methyl-1h-pyrazol-5-ylamine2-tert-butyl-5-methylpyrazol-3-amineMFCD001227315-Amino-1-(tert-butyl)-3-methyl-1H-pyrazole1-(1,1-dimethylethyl)-3-methyl-1H-pyrazol-5-amine

名称をさらに表示

1-(TERT-ブチル)-3-メチル-1H-ピラゾール-5-イルアミン5-アミノ-1-T-ブチル-3-メチルピラゾール108403BUTTPARK 30\03-895-AMINO-1-tert-BUTYL-3-METHYLPYRAZOLE1-tert-butyl-3-methyl pyrazol-5-ylamine5-AMino-1-tert-butyl-3-Methyl-1H-pyrazole5-Methyl-2-tert-butyl-2H-pyrazol-3-ylamine2-TERT-BUTYL-5-METHYL-2H-PYRAZOL-3-YLAMINE

1-(tert-butyl)-3-methylpyrazole-5-ylamine5-amino-1-t-butyl-3-methylpyrazole1H-Pyrazol-5-amine, 1-(1,1-dimethylethyl)-3-methyl-5-amino-3-methyl-1-tert-butylpyrazoleEnamine_002453ChemDiv2_003007SCHEMBL399615CMPRMWFPGYBHTQ-UHFFFAOYSA-N

データベース識別子

CAS: 141459-53-2
PubChem CID: 737200
DTXSID: DTXSID10353195
EC Number: 673-593-2

物性

構造計算による物性

XLogP: 1.2
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: 11
形式電荷: 0
複雑度: 139

物理化学的性質

融点: 65 · 65-67°C
沸点: 259.7 · 259.7±20.0 °C(Predicted)
比重(密度): 1.04 · 1.04±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 4.7 · 4.70±0.10(Predicted)
外見: solid
InChI: 1S/C8H15N3/c1-6-5-7(9)11(10-6)8(2,3)4/h5H,9H2,1-4H3
InChIKey: CMPRMWFPGYBHTQ-UHFFFAOYSA-N
SMILES: Cc1cc(N)n(n1)C(C)(C)C

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H228 (25%): Flammable solid [Danger Flammable solids]

P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Sol. 2 (25%)

安全データ

wgk: WGK 3
hs_code: 2933199090
risk_code: 36/37/38-25
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects