3-Morpholino-3-Oxopropanenitrile 3-吗啉-3-氧代丙腈

CAS 15029-32-0 MFCD00023353

化学结构图

15029-32-0
SMILES: N#CCC(=O)N1CCOCC1

化学属性

Mol. FormulaC7H10N2O2
Mol. Weight154
Melting Point85-88°
TSCAYes

别名和识别编码

Chemical Name3-Morpholino-3-Oxopropanenitrile
CAS Number15029-32-0
Alfabeta NameMORPHOLINOOXOPROPANENITRILE 33---
MDL NumberMFCD00023353
EC Number239-112-1
Beilstein Registry Number0135525
Synonym 1-(Cyanoacetyl)morpholine 4-(Cyanoacetyl)morpholine Morpholine, 4-(cyanoacetyl)- Morpholinocarbonylacetonitrile
Wiswesser Line NotationT6N DOTJ AV1CN
InChIKeyXYMTVJUZZWUIBP-UHFFFAOYSA-N
LabNetwork Molecule IDLN00141514
Chemical Name Translation3-吗啉-3-氧代丙腈
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分类

  • {KO} Nitriles
  • {KO} Ketones

安全信息

Warnings IRRITANT
RTECSAM1230000
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04762

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
3
Rotatable Bonds
1
LogP
-8.562990000000001e-001

系列性分类


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