rel-(2R,6S)-2,6-Dimethylpiperidine

HCID 641768CAS 766-17-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[C@@H]1CCC[C@H](C)N1
InChIKey: SDGKUVSVPIIUCF-KNVOCYPGSA-N
분자식: C7H15N
평균 분자량: 113.2 g/mol
단동위원소 질량: 113.12044948

개요

See also: Nanofin (annotation moved to).

이름 및 식별자

우선 이름: rel-(2R,6S)-2,6-Dimethylpiperidine
IUPAC: (2R,6S)-2,6-dimethylpiperidine

이름 및 동의어

RefChem:879129rel-(2R,6S)-2,6-Dimethylpiperidinecis-2,6-Dimethylpiperidine766-17-6(2R,6S)-2,6-dimethylpiperidinecis-Hexahydro-2,6-lutidinecis-2,6-Lupetidinecis-2,6-dimethyl-piperidine(2S,6R)-2,6-dimethylpiperidineMFCD00066304Piperidin, 2e,6e-dimethylNCGC00016653-01

이름 더 보기

CAS-5072-45-7cis-Lupetidine(2R,6S)-rel-2,6-Dimethylpiperidine; cis-2,6-Dimethylpiperidine; (2R,6S)-2,6-Dimethylpiperidine; meso-2,6-Lupetidine; rel-(2R,6S)-2,6-Dimethylpiperidine;Prestwick0_000666Prestwick1_000666Prestwick2_000666Prestwick3_000666cis-26-Dimethylpiperidine

데이터베이스 식별자

CAS: 766-17-6
PubChem CID: 641768
DTXSID: DTXSID30859422
ChEMBL: CHEMBL1517793
EC Number: 616-362-3
Nikkaji: J853.999E

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 62.8

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP1.53

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.