1,4,6-Trimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile 1,4,6-三甲基-2-羰基-1,2-二氢-3-吡啶甲腈
CAS 64038-03-5 MFCD00829059
化学结构图
SMILES: CC1=CC(C)=C(C#N)C(=O)N1C
化学属性
| Mol. Formula | C9H10N2O |
|---|---|
| Mol. Weight | 162 |
| Melting Point | 202-204° |
别名和识别编码
| Chemical Name | 1,4,6-trimethyl-2-oxo-1,2-dihydro-3-pyridine carbonitrile |
|---|---|
| CAS Number | 64038-03-5 |
| Alfabeta Name | TRIMETHYLOXODIHYDROPYRIDINECARBONITRILE 1462123-------,,, |
| MDL Number | MFCD00829059 |
| Chemical Name Translation | 1,4,6-三甲基-2-羰基-1,2-二氢-3-吡啶甲腈 |
| Synonym | Nicotinonitrile, 1,2-dihydro-1,4,6-trimethyl-2-oxo- |
| Wiswesser Line Notation | T6NVJ A CCN D F |
| Beilstein Registry Number | 0130708 |
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分类
- {KO} Nitriles
安全信息
GHS Symbol
TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,23,1953
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 250 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,1,1953
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
0
LogP
-3.970000000000000e-001
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