2-[(디메틸아미노)메틸]사이클로헥산-1-온

2-((Dimethylamino)methyl)cyclohexanone

HCID 85838CAS 15409-60-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C)CC1CCCCC1=O
InChIKey: QDHLEFBSGUGHCL-UHFFFAOYSA-N
분자식: C9H17NO
평균 분자량: 155.24 g/mol
단동위원소 질량: 155.13101416

이름 및 식별자

우선 이름: 2-((Dimethylamino)methyl)cyclohexanone
IUPAC: 2-[(dimethylamino)methyl]cyclohexan-1-one
현지명: 2-[(디메틸아미노)메틸]사이클로헥산-1-온
영어명: 2-[(dimethylamino)methyl]cyclohexan-1-one
분자식: C9H17NO
분자량: 155.24

이름 및 동의어

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

이름 더 보기

2-[(디메틸아미노)메틸]사이클로헥산-1-온Tramadol 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 142

물리화학적 성질

녹는점: 148 · 148-150 °C
끓는 점: 222 ℃ · 222℃
밀도: 0.944 · 0.944
굴절률: 1.4672 · 1.4672
인화점: 70 ℃ · 70℃
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.83 · 8.83±0.28(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.