1-Ethylpiperidin-3-one hydrochloride

HCID 433439CAS 41361-28-8

기본 정보

표준 SMILES: CCN1CCCC(=O)C1
InChIKey: UDMMJJYIAHHNQA-UHFFFAOYSA-N
분자식: C7H13NO
평균 분자량: 127.18 g/mol
단동위원소 질량: 127.09971404

이름 및 식별자

우선 이름: 1-Ethylpiperidin-3-one hydrochloride
IUPAC: 1-ethylpiperidin-3-one

이름 및 동의어

1-Ethylpiperidin-3-one HClEINECS 255-333-6NSC 3297003-Piperidinone, 1-ethyl-, hydrochlorideRefChem:432647255-333-61-Ethylpiperidin-3-one hydrochloride1-ethylpiperidin-3-one43152-93-81-Ethyl-3-piperidone1-Ethyl-3-piperidinone1-Ethyl-piperidin-3-one

이름 더 보기

3-Piperidinone, 1-ethyl-N-ethyl-3-piperidoneN-ethylpiperid-3-one1-Ethyl-3-piperidinone #SCHEMBL64615SCHEMBL3431239SCHEMBL3431240AKOS006230063

데이터베이스 식별자

CAS: 41361-28-8
PubChem CID: 433439
EC Number: 255-333-6
Nikkaji: J108.768A

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 111

안전 및 규제

GHS 분류

GHS Classification · 5건

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.