8-オキサ-3-アザビシクロ[3.2.1]オクタン塩酸塩

8-Oxa-3-aza-bicyclo(3.2.1)octane hydrochloride

HCID 21983536

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 54745-74-3
標準SMILES: C1CC2CNCC1O2.Cl
InChIKey: XADOTNAXKKFKDY-UHFFFAOYSA-N
分子式: C6H12ClNO
平均分子量: 149.62 g/mol
単同位体質量: 149.0607417

名称と識別子

優先名称: 8-Oxa-3-aza-bicyclo(3.2.1)octane hydrochloride
IUPAC: 8-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
現地名: 8-オキサ-3-アザビシクロ[3.2.1]オクタン塩酸塩
英語名: 8-OXA-3-AZABICYCLO[3.2.1]OCTANEHYDROCHLORIDE
分子式: C6H11NO.ClH
分子量: 149.62

名称と別名

8-Oxa-3-aza-bicyclo[3.2.1]octane hydrochloride8-Oxa-3-aza-bicyclo(3.2.1)octane hydrochlorideRefChem:548347802-217-354745-74-38-OXA-3-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE8-oxa-3-azabicyclo[3,2,1]octane hydrochloride8-oxa-3-azabicyclo[3.2.1]octane;hydrochlorideMFCD179264568-OXA-3-AZABICYCLO[3.2.1]OCTANE HCL8-oxa-3-azabicyclo[3.2.1]octanehydrochlorideMFCD09800611

名称をさらに表示

8-オキサ-3-アザビシクロ[3.2.1]オクタン塩酸塩1021838-Oxa-3-azabic8-Oxa-3-azabicycLo[3.2.1]octane hydrochL8-OXA-3-AZABICYCLO[3.2.1]8-Oxa-3-azabicyclooctaneHCl8-Oxa-3-azabicyclo[3.2.1]octane, HCl8-oxa-3-azabicyclo[3.2.1]octane HCl salt8-OXA-3-AZABICYCLO[3.2.1]OCTANEHYDROCHLO8-OXA-AZABICYCLO[3.2.1]OCTANEHYDROCHLORIDE

8-oxa-3-azabicyclo(3.2.1)octane hydrochloride8-Oxa-3-azabicyclo[3.2.1]octane, hydrochlorideSCHEMBL16513DTXSID90621162XADOTNAXKKFKDY-UHFFFAOYSA-NSBB056375AKOS005166896CS-W005626

データベース識別子

CAS: 54745-74-3
PubChem CID: 21983536
DTXSID: DTXSID90621162
EC Number: 802-217-3

物性

構造計算による物性

極性表面積: 21.3 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: 0
重原子数: 9
形式電荷: 0
複雑度: 84

物理化学的性質

融点: 197 · 197-199 °C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: solid
InChI: InChI=1/C6H11NO.ClH/c1-2-6-4-7-3-5(1)8-6;/h5-7H,1-4H2;1H/t5-,6+;
InChIKey: XADOTNAXKKFKDY-KNCHESJLNA-N
SMILES: [C@@]12([H])O[C@@]([H])(CC1)CNC2.Cl |&1:0,3,r|
CAS データベース: 54745 · 54745-74-3

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

wgk: WGK 3
hs_code: 2934999090
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用8-Oxa-3-azabicyclo[3.2.1]octane hydrochloride is employed as a important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.