1,2,2,6,6-Pentamethyl-4-piperidone

HCID 241955

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5554-54-1
표준 SMILES: CN1C(C)(C)CC(=O)CC1(C)C
InChIKey: GHJUORCGZFHNKG-UHFFFAOYSA-N
분자식: C10H19NO
평균 분자량: 169.26 g/mol
단동위원소 질량: 169.14666423

이름 및 식별자

우선 이름: 1,2,2,6,6-Pentamethyl-4-piperidone
IUPAC: 1,2,2,6,6-pentamethylpiperidin-4-one
영어명: 1 2 2 6 6-Pentamethyl-4-piperidone 97
분자식: C10H19NO
분자량: 169.26

이름 및 동의어

1,2,2,6,6-Pentamethyl-4-piperidoneRefChem:410405628-282-61,2,2,6,6-pentamethylpiperidin-4-one5554-54-1MFCD002346841,2,2,6,6-pentamethyl-4-piperidinoneSCHEMBL578932DTXSID602872591 2 2 6 6-PENTAMETHYL-4-PIPERIDONE 97GEO-02088AKOS005255299

이름 더 보기

4-Piperidinone, 1,2,2,6,6-pentamethyl-1,2,2,6,6-Pentamethyl-4-piperidone 97%1 2 2 6 6-Pentamethyl-4-piperidone 971-Methyl-2,2,6,6-tetramethyl-4-oxopiperidine

SB41142AS-55185SCHEMBL11622909SY284BBL102813STL556621FP07002SY284212

데이터베이스 식별자

CAS: 5554-54-1
PubChem CID: 241955
DTXSID: DTXSID60287259
EC Number: 628-282-6
Nikkaji: J2.818.308I

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: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 186

물리화학적 성질

끓는 점: 230 · 230-231 °C (lit.)
밀도: 0.949 g/mL · 0.949 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.476(lit.)
인화점: 195 °F · 195 °F
저장 조건: -20 °C · -20°C
InChI: 1S/C10H19NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h6-7H2,1-5H3
InChIKey: GHJUORCGZFHNKG-UHFFFAOYSA-N
SMILES: CN1C(C)(C)CC(=O)CC1(C)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2933998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도1,2,2,6,6-Pentamethyl-4-piperidone may be used in the preparation of 1-phenyl-2,2,6,6-tetramethyl-4-phenyliminopiperidine and 1-benzyl-2,2,6,6-tetramethyl-4-benzyliminopiperidine.

일반 설명1,2,2,6,6-Pentamethyl-4-piperidone is an intermediate for preparing pentamethylpiperidines of pharmacological importance. Its conformational analysis based on proton magnetic resonance spectra, dipole moments and molar Kerr constant have been reported.