3,3a,4,5,6,6a-ヘキサヒドロシクロペンタ[c]ピロール-2(1H)-アミン・塩酸塩

Hexahydrocyclopenta(c)pyrrol-2(1H)-amine monohydrochloride

HCID 16213802CAS 58108-05-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.NN1CC2CCCC2C1
InChIKey: WPYNXKFLSQEEFE-UHFFFAOYSA-N
分子式: C7H15ClN2
平均分子量: 162.66 g/mol
単同位体質量: 162.0923762

名称と識別子

優先名称: Hexahydrocyclopenta(c)pyrrol-2(1H)-amine monohydrochloride
IUPAC: 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride
現地名: 3,3a,4,5,6,6a-ヘキサヒドロシクロペンタ[c]ピロール-2(1H)-アミン・塩酸塩
英語名: 3-Amino-3-azabicyclo[3.3.0]octane hydrochloride
分子式: C7H15ClN2
分子量: 162.66

名称と別名

EINECS 261-131-9Hexahydrocyclopenta(c)pyrrol-2(1H)-amine monohydrochlorideCyclopenta[c]pyrrol-2(1H)-amine, hexahydro-, monohydrochlorideHexahydrocyclopenta[c]pyrrol-2(1H)-amine monohydrochlorideCyclopenta(c)pyrrol-2(1H)-amine, hexahydro-, monohydrochlorideRefChem:786163261-131-958108-05-73-Amino-3-azabicyclo[3.3.0]octane hydrochlorideHexahydrocyclopenta[c]pyrrol-2(1H)-amine hydrochlorideMFCD007924513,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride

名称をさらに表示

3,3a,4,5,6,6a-ヘキサヒドロシクロペンタ[c]ピロール-2(1H)-アミン・塩酸塩N-Amino-3-Azabicyclo[3,3,0]-Octan HclGliclazide Impurity 11Gliclazide Intermediate 2Gliclazide Impurity 1 HCl3-aMino-3-Azabicyclooctane HClN-Amino-azabicyclo-[3,3,0]-octaneN-Amino-3-Azabicyclo[3.3.0]-OctanGliclazide Impurity 9 (Hydrochloride)N-amino-3-azabicycio[3.3.0] octane HCL

3-AMINO-3-AZABICYCLO[3,3,0]OCTANE HYDROCHLORIDECyclopenta[c]pyrrol-2(1H)-amine, hexahydro-, hydrochloride (1:1)N-amino-3-aza bicyclo(3,3,0) octane HCLN-AMINO-3-AZABICYCLO[3.3.0]OCTANE HCLHexahydrocyclopenta[c]pyrrol-2(1H)-amine; N-Amino-3-azabicyclo[3.3.0]octane Hydrochloride; NAZA HydrochlorideGliclazide Impurity 1Gliclazide Impurity 10SCHEMBL1027991

データベース識別子

CAS: 58108-05-7
PubChem CID: 16213802
DTXSID: DTXSID40973688
EC Number: 261-131-9

物性

構造計算による物性

極性表面積: 29.3 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: 10
形式電荷: 0
複雑度: 101

物理化学的性質

融点: 170 · 170-174 °C(lit.)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム（微量）、DMSO（微量）、メタノール（微量）、水（微量）
外見: 個体
色: オフホワイトからペールベージュ
安定性: 吸湿性
InChI: InChI=1S/C7H14N2.ClH/c8-9-4-6-2-1-3-7(6)5-9;/h6-7H,1-5,8H2;1H
InChIKey: WPYNXKFLSQEEFE-UHFFFAOYSA-N
SMILES: NN1CC2CCCC2C1.Cl
CAS データベース: 58108 · 58108-05-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): 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 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.；There are 6 notifications provided by 45 of 46 reports by companies with hazard statement code(s).；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

Regulatory InformationStatus: Active Update: 02-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23490

Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (97.8%)

法規制情報

Regulatory InformationStatus: Active Update: 02-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23490

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用3-Amino-3-azabicyclo[3,3,0]octane Hydrochloride is used as a reactant in the synthesis of cannabinoid receptor antagonists.

一般的な説明3-Amino-3-azabicyclo[3.3.0]octane hydrochloride is also referred to as N-amino-3-azabicyclo[3.3.0]octane monohydrochloride.

上流・下流製品情報

上流原料

トルエン水素化ほう素カリウム

下流製品

グリクラジド

サプライヤー50 社

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