1-イソプロピル-3-メチル-1H-ピラゾール-5-アミン

1-Isopropyl-3-methyl-1H-pyrazol-5-amine

HCID 121018

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1124-16-9
標準SMILES: Cc1cc(N)n(C(C)C)n1
InChIKey: OCSWHADWFJTNAZ-UHFFFAOYSA-N
分子式: C7H13N3
平均分子量: 139.2 g/mol
単同位体質量: 139.11094742

名称と識別子

優先名称: 1-Isopropyl-3-methyl-1H-pyrazol-5-amine
IUPAC: 5-methyl-2-propan-2-ylpyrazol-3-amine
現地名: 1-イソプロピル-3-メチル-1H-ピラゾール-5-アミン
英語名: 2-Isopropyl-5-methyl-2 H-pyrazol-3-ylamine
分子式: C7H13N3
分子量: 139.2

名称と別名

1-isopropyl-3-methyl-1h-pyrazol-5-amine3-methyl-1-(1-methylethyl)-1H-pyrazol-5-amineRefChem:433370689-028-81124-16-95-Amino-1-isopropyl-3-methylpyrazole2-Isopropyl-5-methyl-2H-pyrazol-3-ylamine5-methyl-2-propan-2-ylpyrazol-3-amineBRN 06073651H-Pyrazol-5-amine, 3-methyl-1-(1-methylethyl)-MFCD005145205-Methyl-2-isopropyl-2H-pyrazol-3-ylamine

名称をさらに表示

1-イソプロピル-3-メチル-1H-ピラゾール-5-アミン2-イソプロピル-5-メチル-2H-ピラゾール-3-イルアミンAKOS B024297ALINDA 103199CHEMBRDG-BB 4013082ART-CHEM-BB B024297TIMTEC-BB SBB0096621-Isopropyl-3-methyl-5-pyrazolamine2-isopropyl-5-methyl-3-pyrazolamine1-Isopropyl-3-methyl-5-aminopyrazole

3-methyl-1-(propan-2-yl)-1H-pyrazol-5-amineSCHEMBL691317DTXSID50920749F2169-09672-isopropyl-5-methyl-pyrazol-3-amineSY0231272-isopropyl-5-methyl-2 h-pyrazol-3-ylamine1-Isopropyl-3-methyl-1H-pyrazol-5-amine, AldrichCPR

データベース識別子

CAS: 1124-16-9
PubChem CID: 121018
DTXSID: DTXSID50920749
EC Number: 689-028-8

物性

構造計算による物性

XLogP: 1
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: 10
形式電荷: 0
複雑度: 113

物理化学的性質

融点: 110 · 110-112℃
沸点: 245.4 · 245.4±20.0 °C(Predicted)
比重(密度): 1.1 · 1.10±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
外見: 個体
酸解離定数(Pka): 4.68 · 4.68±0.10(Predicted)
InChI: 1S/C7H13N3/c1-5(2)10-7(8)4-6(3)9-10/h4-5H,8H2,1-3H3
InChIKey: OCSWHADWFJTNAZ-UHFFFAOYSA-N
SMILES: CC(C)n1nc(C)cc1N

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 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 CategoriesAcute Tox. 4 (25%)

安全データ

ridadr: UN 2811 6.1 / PGIII
hs_code: 2933199090
risk_code: 25
hazard_code: Xi,T
safety_code: 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