1-メチル-1,2,3,4-テトラヒドロ-キノリン-6-カルボン酸

1-Methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

HCID 3375768

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 162648-46-6
標準SMILES: CN1CCCc2cc(C(=O)O)ccc21
InChIKey: NSGXPBOALKQVNP-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: 1-Methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
IUPAC: 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
現地名: 1-メチル-1,2,3,4-テトラヒドロ-キノリン-6-カルボン酸
英語名: 1-Methyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid
分子式: C11H13NO2
分子量: 191.23

名称と別名

162648-46-61-methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid1-Methyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid1-methyl-3,4-dihydro-2H-quinoline-6-carboxylic AcidMFCD009567246-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-NSGXPBOALKQVNP-UHFFFAOYSA-NSCHEMBL2817935SCHEMBL30041535DTXSID20391922AKOS000303292AS-70149

名称をさらに表示

1-メチル-1,2,3,4-テトラヒドロ-キノリン-6-カルボン酸1-PYRIMIDIN-4-YLMETHANAMINE1-METHYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-C1-methyl-3,4-dihydro-2H-quinoline-6-carboxylicaci1,2,3,4-Tetrahydro-1-methyl-6-quinolinecarboxylic acid1-methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid - [M83391]1-METHYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-CARBOXYLIC ACID ISO 9001：2015 REACH

SY266980DB-019238CS-0318465C80011F0588941-methyl-1,2,3,4-tetrahydroquinolin-6-carboxylic acid1-methyl-1,2,3,4-tetrahydroquinoline-6-carboxylicacid

データベース識別子

CAS: 162648-46-6
PubChem CID: 3375768
DTXSID: DTXSID20391922
EC Number: 116-510-2

物性

構造計算による物性

XLogP: 2
極性表面積: 40.5 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: 1
重原子数: 14
形式電荷: 0
複雑度: 229

物理化学的性質

沸点: 390.7 · 390.7±35.0 °C(Predicted)
比重(密度): 1.196 · 1.196
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 5.1 · 5.10±0.20(Predicted)
外見: solid
InChI: 1S/C11H13NO2/c1-12-6-2-3-8-7-9(11(13)14)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKey: NSGXPBOALKQVNP-UHFFFAOYSA-N
SMILES: CN1C(C=C2)=C(CCC1)C=C2C(O)=O

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

サプライヤー23 社

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

南京药石科技股份有限公司025-86918202 4000255188 · [email protected]

南京药石科技股份有限公司4000255188 · [email protected]

台州南峰药物研究所[email protected] 18616377689 · [email protected]

化合物ノート

読み込み中…