1,4-ジアザビシクロ[4.3.0]ノナン

Octahydropyrrolo(1,2-a)pyrazine

HCID 558578

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5654-83-1
標準SMILES: C1CC2CNCCN2C1
InChIKey: FTTATHOUSOIFOQ-UHFFFAOYSA-N
分子式: C7H14N2
平均分子量: 126.2 g/mol
単同位体質量: 126.11569846

名称と識別子

優先名称: Octahydropyrrolo(1,2-a)pyrazine
IUPAC: 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
現地名: 1,4-ジアザビシクロ[4.3.0]ノナン
英語名: (+/-)-1,4-Diazabicyclo[4.4.0]decane
分子式: C7H14N2
分子量: 126.2

名称と別名

Octahydropyrrolo[1,2-a]pyrazine5654-83-1DTXSID10339772Octahydropyrrolo(1,2-a)pyrazineRefChem:167763DTXCID50290853639-325-31,4-Diazabicyclo[4.3.0]nonaneOctahydro-pyrrolo[1,2-a]pyrazine1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazinepyrrolo[1,2-a]pyrazine, octahydro-MFCD00082600

名称をさらに表示

1,4-ジアザビシクロ[4.3.0]ノナンOCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZINEAKOS AL-24Albb-009271OCTAHYDRO-PYRIDO[1,2-A ]PYRAZINE(+/-)-1,4-Diazabicyclo[4.4.0]decane1,4-diazabiscyclo[4.3.0]nonylalkaneOctahydro-pyrrolo[1,2-a]pyrazine 2HCl1,4-diazabicyclo[4.3.0]nonane - [D4394]octahydropyrrolo[1,2-a]pyrazine(SALTDATA: FREE)

octahydropyrrolo[1,2-a]piperazine1,4-diazabicyclo(1,4-diazabicyclo[octahydro-pyrrolo(1,2-a)pyrazine1,4-diazabicyclo(4.3.0)nonaneSCHEMBL44952SCHEMBL63706SCHEMBL95184

データベース識別子

CAS: 5654-83-1
PubChem CID: 558578
DTXSID: DTXSID10339772
EC Number: 639-325-3

物性

構造計算による物性

XLogP: 0.2
極性表面積: 15.3 Å²
水素結合供与体数: 1
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: 103

物理化学的性質

沸点: 74 · 74-75 °C(Press: 10 Torr)
比重(密度): 0.9679 g/cm3 · 0.9679 g/cm3
貯蔵温度: Refrigerator, under inert atmosphere
溶解性: クロロホルム（少量）、メタノール（少量）
酸解離定数(Pka): 9.98 · 9.98±0.20(Predicted)
外見: 油
色: 無色
CAS データベース: 5654 · 5654-83-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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.