1-벤질-3,5-디메틸피페리딘-4-온

1-Benzyl-3,5-dimethylpiperidin-4-one

HCID 22278920

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 836-21-5
표준 SMILES: CC1CN(Cc2ccccc2)CC(C)C1=O
InChIKey: KUUYMZATYJQLLZ-UHFFFAOYSA-N
분자식: C14H19NO
평균 분자량: 217.31 g/mol
단동위원소 질량: 217.14666423

이름 및 식별자

우선 이름: 1-Benzyl-3,5-dimethylpiperidin-4-one
IUPAC: 1-benzyl-3,5-dimethylpiperidin-4-one
현지명: 1-벤질-3,5-디메틸피페리딘-4-온
영어명: 1-Benzyl-3,5-diMethylpiperidin-4-one
분자식: C14H19NO
분자량: 217.31

이름 및 동의어

1-benzyl-3,5-dimethylpiperidin-4-one836-21-5DTXSID60624246RefChem:429809DTXCID40575000838-552-71-benzyl-3,5-dimethyl-piperidin-4-oneMFCD145831394-Piperidinone, 3,5-dimethyl-1-(phenylmethyl)-DS-7309SCHEMBL654452AKOS024260045

이름 더 보기

1-벤질-3,5-디메틸피페리딘-4-온1-Benzyl-3,5-dimethylpiperidin-4-one(cis:trans=85:15)

1-benzyl-3,5-dimethyl-4-piperidoneRac-(3r,5r)-1-benzyl-3,5-dimethylpiperidin-4-one, trans4-Piperidinone, 3,5-dimethyl-1-(phenylmethyl)-, (3R,5R)-1-benzyl-3,5-dimethyl-4-piperidi1-Benzyl-35-dimethylpiperidin-4-one1-benzyl-3,5-dimethyl-4-piperidinone1-benzyl-3,5-dimethyl-piperidin4-oneCS-W004207

데이터베이스 식별자

CAS: 836-21-5
PubChem CID: 22278920
DTXSID: DTXSID60624246
EC Number: 838-552-7

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 231

물리화학적 성질

저장 조건: Inert atmosphere,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.