4-Morpholinebutanenitrile

HCID 294574

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部分構造検索類似構造を探す

基本情報

CAS: 5807-11-4
標準SMILES: N#CCCCN1CCOCC1
InChIKey: DNHBZJPTXSALLZ-UHFFFAOYSA-N
分子式: C8H14N2O
平均分子量: 154.21 g/mol
単同位体質量: 154.11061307

名称と識別子

優先名称: 4-Morpholinebutanenitrile
IUPAC: 4-morpholin-4-ylbutanenitrile
英語名: 4-Morpholinobutyronitrile
分子式: C8H14N2O
分子量: 154.21

名称と別名

5807-11-44-Morpholinebutanenitrile4-MORPHOLINEBUTYRONITRILEDTXSID80303900RefChem:525757DTXCID40255032654-592-64-morpholinobutanenitrile4-morpholin-4-ylbutanenitrile4-(morpholin-4-yl)butanenitrile4-morpholinobutyronitrileMFCD00023393

名称をさらに表示

4-(1,4-oxazinan-4-yl)butanenitrile

4-(4-morpholinyl)butanenitrileNSC-1633774-Morpholinobutanenitrile; 4-Morpholinobutyronitrile; NSC 1633774-Morpholin-4-Yl-ButyronitrileNSC163377JXB4BZ258KSCHEMBL149409DNHBZJPTXSALLZ-UHFFFAOYSA-N

データベース識別子

CAS: 5807-11-4
PubChem CID: 294574
DTXSID: DTXSID80303900
UNII: JXB4BZ258K
EC Number: 654-592-6
Nikkaji: J2.446.119J

物性

構造計算による物性

XLogP: -0.1
極性表面積: 36.3 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 143

物理化学的性質

沸点: 142 °C · 142 °C(Press: 15 Torr)
比重(密度): 1.0031 g/cm3 · 1.0031 g/cm3
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 6.82 · 6.82±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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.