3-oxo-3-(pyrrolidin-1-yl)propanenitrile 3-氧代-3-(吡咯烷-1-基)丙腈

CAS 14227-95-3 MFCD00020838

化学结构图

14227-95-3
SMILES: N#CCC(=O)N1CCCC1

化学属性

Mol. FormulaC7H10N2O
Mol. Weight138
Melting Point71-74°
TSCANo

别名和识别编码

Chemical Name3-oxo-3-(pyrrolidin-1-yl)propanenitrile
CAS Number14227-95-3
Alfabeta NameOXOPYRROLIDINYLPROPANENITRILE 331()----
MDL NumberMFCD00020838
EC Number238-096-3
Beilstein Registry Number637151
Chemical Name Translation3-氧代-3-(吡咯烷-1-基)丙腈
Synonym
InChIKeyVEUDVNNBYYRZBV-UHFFFAOYSA-N
LabNetwork Molecule IDLN00141044
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分类

  • {KO} Nitriles
  • {KO} Ketones

安全信息

Warnings IRRITANT
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
Packing GroupIII

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
0
H-bond Acceptors
2
Rotatable Bonds
1
LogP
-1.881000000000000e-001

系列性分类


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