CAS 27514-07-4 7-Azabicyclo[2.2.1]heptane hydrochloride (HCID 16279503)

基本情報

CAS: 27514-07-4
標準SMILES: C1CC2CCC1N2.Cl
InChIKey: JQHCKZLQJDVZPH-UHFFFAOYSA-N
分子式: C6H12ClN
平均分子量: 133.62 g/mol
単同位体質量: 133.06582706

名称と識別子

優先名称: 7-Azabicyclo[2.2.1]heptane hydrochloride
IUPAC: 7-azabicyclo[2.2.1]heptane;hydrochloride
現地名: (1S,4S)-7-アザビシクロ[2.2.1]ヘプタン塩酸塩
英語名: 7-Azabicyclo[2,2,1]heptane hydrochloride
分子式: C6H11N.ClH
分子量: 133.62

名称と別名

7-azabicyclo[2.2.1]heptane hydrochloride27514-07-47-Azabicyclo[2.2.1]heptan-7-ium chloride7-azabicyclo(2.2.1)heptane hydrochloride7-Azabicyclo(2.2.1)heptan-7-ium chlorideRefChem:310299823-620-07-Azabicyclo[2,2,1]heptane hydrochlorideMFCD001541837-azabicyclo[2.2.1]heptane;hydrochloride7-Azabicyclo[2.2.1]heptane, hydrochloride (1:1)7-aza-bicyclo[2.2.1]heptane hydrochloride

名称をさらに表示

(1S,4S)-7-アザビシクロ[2.2.1]ヘプタン塩酸塩7-アザビシクロ[2.2.1]ヘプタン塩酸塩SW-74SWF-747-AZABICYCLO[2,2,1]HEPTANE HCL(1s,4s)-7-azabicyclo[2.2.1]heptane hydrochloride

7-aza-bicyclo [2.2.1]heptane hydrochlorideCS-W0186987-AZABICYCLO[2.2.1]HEPTANE HCL7-azoniabicyclo[2.2.1]heptane;chloride7-azabicyclo[2.2.1]heptanehydrochloride7-Azabicyclo[2.2.1]heptane, hydrochlorideSCHEMBL225221SCHEMBL722501

データベース識別子

CAS: 27514-07-4
PubChem CID: 16279503
DTXSID: DTXSID40585846
EC Number: 823-620-0

物性

構造計算による物性

極性表面積: 12 Å²
水素結合供与体数: 2
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: 62.2

物理化学的性質

貯蔵温度: Inert atmosphere,Room Temperature
InChI: InChI=1S/C6H11N.ClH/c1-2-6-4-3-5(1)7-6;/h5-7H,1-4H2;1H
InChIKey: JQHCKZLQJDVZPH-UHFFFAOYSA-N
SMILES: C12CCC(CC1)N2.Cl

安全と法規制

GHS分類

GHS Classification · 4 件

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.