1-[4-(4-methylpiperazino)phenyl]-1-ethanone 1-[4-(4-甲基哌嗪)苯基]-1-苯乙酮
CAS 26586-55-0 MFCD00023297
化学结构图
SMILES: CN1CCN(CC1)C1C=CC(=CC=1)C(C)=O
化学属性
| Mol. Formula | C13H18N2O |
|---|---|
| Mol. Weight | 218 |
| Melting Point | 99-102° |
别名和识别编码
| Chemical Name | 1-[4-(4-methylpiperazino)phenyl]-1-ethanone |
|---|---|
| CAS Number | 26586-55-0 |
| Alfabeta Name | METHYLPIPERAZINOPHENYLETHANONE 1441[]()----- |
| MDL Number | MFCD00023297 |
| Chemical Name Translation | 1-[4-(4-甲基哌嗪)苯基]-1-苯乙酮 |
| Synonym | p-(4-Methylpiperazino)-acetophenone |
| Wiswesser Line Notation | T6N DNTJ A1 DR DV1 |
| Beilstein Registry Number | 0885205 |
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分类
- {KO} Ketones
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 56 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#04794
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 Acceptors
2
Rotatable Bonds
2
H-bond Donors
0
LogP
9.484010000000001e-001
