(+/-)-1,4-ジアザビシクロ[4.4.0]デカン

(+-)-1,4-Diazabicyclo[4.4.0]decane

HCID 2876391

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 4430-75-5
標準SMILES: C1CCN2CCNCC2C1
InChIKey: ONHPOXROAPYCGT-UHFFFAOYSA-N
分子式: C8H16N2
平均分子量: 140.23 g/mol
単同位体質量: 140.13134852

名称と識別子

優先名称: (+-)-1,4-Diazabicyclo[4.4.0]decane
IUPAC: 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
現地名: (+/-)-1,4-ジアザビシクロ[4.4.0]デカン
英語名: Octahydro-2H-pyrido[1,2-a]pyrazine
分子式: C8H16N2
分子量: 140.23

名称と別名

(+-)-1,4-Diazabicyclo(4.4.0)decane(+-)-1,4-Diazabicyclo[4.4.0]decaneRefChem:390809692-685-34430-75-5octahydro-1h-pyrido[1,2-a]pyrazineOctahydro-2H-pyrido[1,2-a]pyrazineOctahydro-pyrido[1,2-a]pyrazine1,4-diazabicyclo[4.4.0]decane2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine(+/-)-1,4-Diazabicyclo[4.4.0]decaneMFCD01098257

名称をさらに表示

(+/-)-1,4-ジアザビシクロ[4.4.0]デカン1,4-ジアザビシクロ[4.4.0]デカンオクタヒドロ-2H-ピリド[1,2-A]ピラジン2-(4-fluorophenyl)-L-glycine1,4-Diazabicyclo[4.4.0]decane 97%2H-Pyrido[1,2-a]pyrazine, octahydro-(^+)-1,4-Diazabicyclo[4.4.0]decane,98+%(^+)-1,4-Diazabicyclo[4.4.0]decane, 98+%1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]pyrazin-5-ium

CHEMBL98511Octahydropyrido[1,2-a]pyrazineoctahydro-1H-pyrido[1,2-a]piperazineSCHEMBL65291SCHEMBL174054SCHEMBL338531SCHEMBL338532(+/-)-1,4-diazabicyclo[

データベース識別子

CAS: 4430-75-5
PubChem CID: 2876391
DTXSID: DTXSID10386908
ChEMBL: CHEMBL98511
EC Number: 692-685-3

物性

構造計算による物性

XLogP: 0.5
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: 10
形式電荷: 0
複雑度: 114

物理化学的性質

沸点: 68 · 68-72℃/3mm
比重(密度): 1.01 · 1.01±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
溶解性: Chloroform (Sparingly), Methanol (Slightly)
外見: Oil
酸解離定数(Pka): 9.8 · 9.80±0.20(Predicted)
色: Colourless

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 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.