1,2,3,4-テトラヒドロキノリン-7-カルボン酸メチル

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

HCID 16244389

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 597562-79-3
標準SMILES: COC(=O)c1ccc2c(c1)NCCC2
InChIKey: BDMQUHKEECRIDC-UHFFFAOYSA-N
分子式: C11H13NO2
平均分子量: 191.23 g/mol
単同位体質量: 191.09462866

名称と識別子

優先名称: Methyl 1,2,3,4-tetrahydroquinoline-7-carboxylate
IUPAC: methyl 1,2,3,4-tetrahydroquinoline-7-carboxylate
現地名: 1,2,3,4-テトラヒドロキノリン-7-カルボン酸メチル
英語名: 1,2,3,4-Tetrahydro-quinoline-7-carboxylic acid methyl ester hydrochloride
分子式: C11H13NO2
分子量: 191.23

名称と別名

methyl 1,2,3,4-tetrahydroquinoline-7-carboxylate597562-79-3RefChem:812472827-662-01,2,3,4-TETRAHYDRO-QUINOLINE-7-CARBOXYLIC ACID METHYL ESTERMFCD085442721,2,3,4-TETRAHYDRO-QUINOLINE-7-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDESCHEMBL554225SCHEMBL30955089BDMQUHKEECRIDC-UHFFFAOYSA-NSB37861BS-29126

名称をさらに表示

1,2,3,4-テトラヒドロキノリン-7-カルボン酸メチル1,2,3,4-テトラヒドロキノリン-7-カルボン酸メチル HYDROCHLORIDE1,2,3,4-Tetrahydro-quinoline-7-carboxylicacidmetMethyl 1,2,3,4-tetrahydro-7-quinolinecarboxylate7-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl esterMethyl 1,2,3,4-tetrahydroquinoline-7-carboxylate hydrochloride

SY283246CS-0107313Methyl 1234-tetrahydroquinoline-7-carboxylateD76727EN300-374211methyl1,2,3,4-tetrahydroquinoline-7-carboxylateF612343Methyl 1,2,3,4-tetrahydro-quinoline-7-carboxylate

データベース識別子

CAS: 597562-79-3
PubChem CID: 16244389
EC Number: 827-662-0

物性

構造計算による物性

XLogP: 2.2
極性表面積: 38.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 217

物理化学的性質

貯蔵温度: 2 · 2-8°C, protect from light

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): 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)

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