4-Phenylpiperidine-4-carbonitrile hydrochloride

HCID 3084973

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

部分構造検索類似構造を探す

基本情報

CAS: 51304-58-6
標準SMILES: Cl.N#CC1(c2ccccc2)CCNCC1
InChIKey: CQPHZBOPSZGTJM-UHFFFAOYSA-N
分子式: C12H15ClN2
平均分子量: 222.71 g/mol
単同位体質量: 222.09237616

名称と識別子

優先名称: 4-Phenylpiperidine-4-carbonitrile hydrochloride
IUPAC: 4-phenylpiperidine-4-carbonitrile;hydrochloride

名称と別名

4-Phenylpiperidine-4-carbonitrile hydrochloride4-Phenylpiperidine-4-carbonitrile HClNSC 63943EINECS 257-124-5DTXSID60199303DMCVVFIWYIKAEJ-UHFFFAOYSA-RefChem:526443DTXCID50121794257-124-5InChI=1/C12H14N2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5,14H,6-9H24-Cyano-4-phenylpiperidine hydrochloride51304-58-6

名称をさらに表示

MFCD000127754-Cyano-4-phenylpiperidine HCl4-phenylpiperidine-4-carbonitrile;hydrochloride4-Piperidinecarbonitrile, 4-phenyl-, hydrochloride (1:1)NSC-639434-Piperidinecarbonitrile, 4-phenyl-, monohydrochloride4-phenylpiperidine-4-carbonitrile, chlorideNSC63943

データベース識別子

CAS: 51304-58-6
PubChem CID: 3084973
DTXSID: DTXSID60199303
UNII: G4Y6EK6T5Q
EC Number: 257-124-5

物性

構造計算による物性補完中

極性表面積: 35.8 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 226

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.