7-Methyl-1,2,3,4-tetrahydroquinoline

HCID 458680CAS 58960-03-5

基本情報

標準SMILES: Cc1ccc2c(c1)NCCC2
InChIKey: SYFXGQYGECZNFQ-UHFFFAOYSA-N
分子式: C10H13N
平均分子量: 147.22 g/mol
単同位体質量: 147.10479942

名称と識別子

優先名称: 7-Methyl-1,2,3,4-tetrahydroquinoline
IUPAC: 7-methyl-1,2,3,4-tetrahydroquinoline
英語名: 7-Methyl-1,2,3,4-tetrahydroquinoline
分子式: C10H13N
分子量: 147.22

名称と別名

7-methyl-1,2,3,4-tetrahydroquinoline58960-03-5DTXSID10332546RefChem:311009DTXCID00283639872-147-6MFCD076583807-methyl-1,2,3,4-tetrahydro-quinoline1,2,3,4-tetrahydro-7-methquinolineQuinoline, 1,2,3,4-tetrahydro-7-methyl-SCHEMBL3111834SCHEMBL17969170

名称をさらに表示

SCHEMBL30634161SYFXGQYGECZNFQ-UHFFFAOYSA-NICA96003STK688712AKOS005601289MB04674ST086303SY190475

データベース識別子

CAS: 58960-03-5
PubChem CID: 458680
DTXSID: DTXSID10332546
EC Number: 872-147-6
Nikkaji: J2.035.206J

物性

構造計算による物性

XLogP: 2.7
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 133

物理化学的性質

沸点: 263.1 · 263.1±25.0 °C(Predicted)
比重(密度): 0.99 · 0.990±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 5.26 · 5.26±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.