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

HCID 641768

ノート反応

データを補完しています。通常は 1 分以内に完了します

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基本情報

CAS: 766-17-6
標準SMILES: C[C@@H]1CCC[C@H](C)N1
InChIKey: SDGKUVSVPIIUCF-KNVOCYPGSA-N
分子式: C7H15N
平均分子量: 113.2 g/mol
単同位体質量: 113.12044948

概要

See also: Nanofin (annotation moved to).

名称と識別子

優先名称: rel-(2R,6S)-2,6-Dimethylpiperidine
IUPAC: (2R,6S)-2,6-dimethylpiperidine

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性補完中

XLogP: 1.5
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 62.8

実験および物理化学的性質

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP1.53

安全と法規制

GHS分類

GHS Classification · 4 件

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.