8-アザビシクロ[3.2.1]オクタン塩酸塩

8-Azabicyclo[3.2.1]octane hydrochloride

HCID 522272CAS 6760-99-2

部分構造検索類似構造を探す

基本情報

標準SMILES: C1CC2CCC(C1)N2.Cl
InChIKey: VAINBTSWOOHLOV-UHFFFAOYSA-N
分子式: C7H14ClN
平均分子量: 147.64 g/mol
単同位体質量: 147.0814771

名称と識別子

優先名称: 8-Azabicyclo[3.2.1]octane hydrochloride
IUPAC: 8-azabicyclo[3.2.1]octane;hydrochloride
現地名: 8-アザビシクロ[3.2.1]オクタン塩酸塩
英語名: 8-Azabicyclo[3.2.1]octane hydrochloride
分子式: C7H14ClN
分子量: 147.64576

名称と別名

8-azabicyclo[3.2.1]octane hydrochloride6760-99-2DTXSID303349068-azabicyclo(3.2.1)octane hydrochlorideRefChem:311748DTXCID40285995816-943-38-Azabicyclo[3.2.1]octane, hydrochloride8-aza-bicyclo[3.2.1]octane hydrochlorideMFCD199825618-Azabicyclo[3.2.1]octane HCl8-azabicyclo[3.2.1]octane;hydrochloride

名称をさらに表示

8-アザビシクロ[3.2.1]オクタン塩酸塩8-Azabicyclo[3.2.1]octane hydrochloride 95+%8-azabiscyclo[3.2.1]octylalkanehydrochloride8-Azabicyclo[3.2.1]octane, hydrochloride (1:1)

SCHEMBL1955818VAINBTSWOOHLOV-UHFFFAOYSA-NAKOS024463995DS-7448SB100898-azabicyclo[3.2.1]octanehydrochlorideSY097135DB-264167

データベース識別子

CAS: 6760-99-2
PubChem CID: 522272
DTXSID: DTXSID30334906
EC Number: 816-943-3

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: 9
形式電荷: 0
複雑度: 80

物理化学的性質

融点: 307 · 307-308 °C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C7H13N.ClH/c1-2-6-4-5-7(3-1)8-6;/h6-8H,1-5H2;1H
InChIKey: VAINBTSWOOHLOV-UHFFFAOYSA-N
SMILES: C12NC(CC1)CCC2.[H]Cl

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.