2-(ジメチルアミノメチル)シクロヘキサノン

2-((Dimethylamino)methyl)cyclohexanone

HCID 85838CAS 15409-60-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CN(C)CC1CCCCC1=O
InChIKey: QDHLEFBSGUGHCL-UHFFFAOYSA-N
分子式: C9H17NO
平均分子量: 155.24 g/mol
単同位体質量: 155.13101416

名称と識別子

優先名称: 2-((Dimethylamino)methyl)cyclohexanone
IUPAC: 2-[(dimethylamino)methyl]cyclohexan-1-one
現地名: 2-(ジメチルアミノメチル)シクロヘキサノン
英語名: 2-[(dimethylamino)methyl]cyclohexan-1-one
分子式: C9H17NO
分子量: 155.24

名称と別名

15409-60-62-((Dimethylamino)methyl)cyclohexanone2-[(Dimethylamino)methyl]cyclohexanoneCyclohexanone, 2-[(dimethylamino)methyl]-2-(N,N-Dimethylaminomethyl)cyclohexanoneUNII-2K361MJ2WZ2K361MJ2WZEINECS 239-422-72-((Dimethylamino)methyl)cyclohexanone, (2RS)-NSC-222825Cyclohexanone, 2-((dimethylamino)methyl)-(2rs)-2-((dimethylamino)methyl)cyclohexanone

名称をさらに表示

2-[(ジメチルアミノ)メチル]シクロヘキサノン2-(ジメチルアミノメチル)シクロヘキサノンN,N-ジメチル-2-オキソシクロヘキサンメタンアミン2-[(ジメチルアミノ)メチル]シクロヘキサン-1-オン2-ジメチルアミノメチルシクロヘキサノンTramadol Impurity E (Y0000157)dimethylaminomethyl cyclohexanone2-(Dimethylamino)methylcyclohexanone2-(BisMethyl)aMinoMethylcyclohexanone2-(DIMETHYLAMINOMETHYL)-1-CYCLOHEXANONECyclohexanone,2-[(diMethylaMino)Methyl]-2-((DIMETHYLAMINO)METHYL)CYCLOHEXANONE(WXG01629)2-[(N,N-DIMETHYLAMINO)METHYL]-CYCLOHEXANONE HYDROCHLORIDE

NSC 222825TRAMADOL HYDROCHLORIDE IMPURITY E [EP IMPURITY]TRAMADOL HYDROCHLORIDE IMPURITY E (EP IMPURITY)RefChem:83751239-422-7QDHLEFBSGUGHCL-UHFFFAOYSA-N2-[(dimethylamino)methyl]cyclohexan-1-one2-((Dimethylamino)methyl)cyclohexan-1-one

データベース識別子

CAS: 15409-60-6
PubChem CID: 85838
DTXSID: DTXSID801283556
ChEMBL: CHEMBL1617601
UNII: 2K361MJ2WZ
EC Number: 239-422-7
Nikkaji: J122.128K

物性

構造計算による物性

XLogP: 1
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 142

物理化学的性質

融点: 148 · 148-150 °C
沸点: 222 ℃ · 222℃
比重(密度): 0.944 · 0.944
屈折率: 1.4672 · 1.4672
闪点: 70 ℃ · 70℃
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 8.83 · 8.83±0.28(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.