CAS 162368-01-6 1,4-Diacetylpiperidine (HCID 2777250)

기본 정보

CAS: 162368-01-6
표준 SMILES: CC(=O)C1CCN(C(C)=O)CC1
InChIKey: VFZXZEJGLKOTBW-UHFFFAOYSA-N
분자식: C9H15NO2
평균 분자량: 169.22 g/mol
단동위원소 질량: 169.11027872

이름 및 식별자

우선 이름: 1,4-Diacetylpiperidine
IUPAC: 1-(1-acetylpiperidin-4-yl)ethanone
현지명: 1-(4-아세틸피페리디노)에탄-1-온
영어명: 1-(4-Acetylpiperidino)ethan-1-one
분자식: C9H15NO2
분자량: 169.22

이름 및 동의어

1,4-DiacetylpiperidineRefChem:416648640-814-9162368-01-61-(4-ACETYLPIPERIDINO)ETHAN-1-ONE1-(1-acetylpiperidin-4-yl)ethanone1-(1-Acetyl-piperidin-4-yl)-ethanoneMFCD001067741,1'-(piperidine-1,4-diyl)bis(ethan-1-one)1,1'-(piperidine-1,4-diyl)diethanoneEthanone, 1,1'-(1,4-piperidinediyl)bis-1-(4-acetylpiperidin-1-yl)ethan-1-one

이름 더 보기

1-(4-아세틸피페리디노)에탄-1-온1-(1-acetyl-4-piperidyl)ethanone

piperidine, 1,4-diacetyl- (9ci)Piperidine, 1,4-diacetyl-1-(1-acetylpiperidin-4-yl)ethan-1-one1-(4-acetylpiperidino)ethan-1-one ,97%A1CU6SCHEMBL190928orb3030482DTXSID40380434

데이터베이스 식별자

CAS: 162368-01-6
PubChem CID: 2777250
DTXSID: DTXSID40380434
EC Number: 640-814-9

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 37.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 193

물리화학적 성질

끓는 점: 308.9 · 308.9±35.0 °C(Predicted)
밀도: 1.057 · 1.057±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -1.36 · -1.36±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.