1-メチル-1,2,3,4-テトラヒドロキノキサリン

1-Methyl-1,2,3,4-tetrahydroquinoxaline

HCID 215850

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 36438-97-8
標準SMILES: CN1CCNc2ccccc21
InChIKey: SXLZJUPRTINRQQ-UHFFFAOYSA-N
分子式: C9H12N2
平均分子量: 148.2 g/mol
単同位体質量: 148.10004839

名称と識別子

優先名称: 1-Methyl-1,2,3,4-tetrahydroquinoxaline
IUPAC: 4-methyl-2,3-dihydro-1H-quinoxaline
現地名: 1-メチル-1,2,3,4-テトラヒドロキノキサリン
英語名: 1-METHYL-1,2,3,4-TETRAHYDRO-QUINOXALINE DIHYDROCHLORIDE
分子式: C9H12N2
分子量: 148.21

名称と別名

1-methyl-1,2,3,4-tetrahydroquinoxaline36438-97-8DTXSID70957774RefChem:433661DTXCID001385702805-460-34-methyl-2,3-dihydro-1H-quinoxalineMFCD01684957BRN 0131438Quinoxaline, 1,2,3,4-tetrahydro-1-methyl-Quinoxaline, 1,2,3,4-tetrahydro-4-methyl-Quinoxaline, 1-methyl-1,2,3,4-tetrahydro-

名称をさらに表示

1-メチル-1,2,3,4-テトラヒドロキノキサリン1-METHYL-1,2,3,4-TETRAHYDRO-QUINOXALINE DIHYDROCHLORIDE1-Methyl-1,2,3,4-tetrahydroquinoxaline dihydrochloride, 95+%4-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine dihydrochloride1-METHYL-1,2,3,4-TETRAHYDRO-QUINOXALINE DIHYDROCHLORIDE ISO 9001：2015 REACH

1-methyl-1,2,3,4-tetrahydro-quinoxalineSCHEMBL305967SCHEMBL6198063SCHEMBL6198065CHEMBL5185429SCHEMBL18228459SCHEMBL28833094SCHEMBL30463209

データベース識別子

CAS: 36438-97-8
PubChem CID: 215850
DTXSID: DTXSID70957774
ChEMBL: CHEMBL5185429
EC Number: 805-460-3
Nikkaji: J48.375C

物性

構造計算による物性

XLogP: 1.8
極性表面積: 15.3 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: 0
重原子数: 11
形式電荷: 0
複雑度: 136

物理化学的性質

融点: 40.5 · 40.5-42℃
沸点: 163 · 163-169 °C(Press: 21 Torr)
比重(密度): 1.033 · 1.033±0.06 g/cm3(Predicted)
酸解離定数(Pka): 7.41 · 7.41±0.20(Predicted)
CAS データベース: 36438 · 36438-97-8

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.