阿普罗芬 | 3563-01-7
阿普罗芬
Aprofene
3563-01-7
C21H27NO2
325.44458
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：阿普罗芬结构式
名称和标识符
| InChIKey |
DIDYGLSKVUKRRP-UHFFFAOYSA-N |
| Inchi |
InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3 |
| SMILES |
CCN(CCOC(C(C1C=CC=CC=1)(C)C1C=CC=CC=1)=O)CC |
别名信息
- 英文别名 -
- Benzeneacetic acid, a-methyl-a-phenyl-, 2-(diethylamino)ethylester
- Aprophenum
- Aprophen
- 2,2-diphenyl-propionic acid-(2-diethylamino-ethyl ester)
- NCGC00160676-01
- 2-Diethylaminoethyl 2,2-diphenylpropionate
- Aprofene
- BRN 2509326
- Diphenyl-methyl-essigsaeure-(2-aethyl-diaethylamin)-ester
- Aprofeno [INN-Spanish]
- Propionic acid, 2,2-diphenyl-, 2-(diethylamino)ethyl ester
- 2,2-Diphenyl-propionsaeure-(2-diaethylamino-aethylester)
- Aprofenum [INN-Latin]
- Aprofen
- Aprofene [INN]
- Aprofenum [INN-Latin]
- NCGC00160676-02
- 2,2-Diphenylpropionic acid 2-diethylaminoethyl ester
- BDBM50005685
- 4-09-00-02535 (Beilstein Handbook Reference)
- Benzeneacetic acid, alpha-methyl-alpha-phenyl-, 2-(diethylamino)ethyl ester
- CS-0079580
- Aprofen
- AKOS003658410
- CHEMBL26505
- L000719
- Aprofenum
- SCHEMBL2354824
- DTXCID6026294
- DTXSID8046294
- NS00113978
- NCGC00160676-01
- alpha,alpha-Diphenylpropionic acid beta-diethylaminoethyl ester
- Aprofene
- BRN 2509326
- 2-(Diethylamino)ethyl 2,2-diphenylpropanoate #
- .alpha.,.alpha.-Diphenylpropionic acid 2-diethylaminoethyl ester
- Propionic acid, 2,2-diphenyl-, 2-(diethylamino)ethyl ester
- Aprofeno
- UNII-PL791XXJ7B
- 2,2-Diphenyl-propionic acid 2-diethylamino-ethyl ester
- Aprophenum
- 2-(Diethylamino)ethyl 2,2-diphenylpropanoate
- alpha-Methyl-alpha-phenylbenzeneacetic acid 2-(diethylamino)ethyl ester
- 3563-01-7
- alpha,alpha-Diphenylpropionic acid 2-diethylaminoethyl ester
- HY-121168
- 2,2-Diphenyl-propionic acid 2-diethylamino-ethyl ester(Aprophen)
- .alpha.,.alpha.-Diphenylpropionic acid .beta.-diethylaminoethyl ester
- Q4068249
- Tox21_111979
- SR-01000883700-1
- PL791XXJ7B
- Tox21_111979_1
- Aprofeno [INN-Spanish]
- .alpha.-Methyl-.alpha.-phenylbenzeneacetic acid 2-(diethylamino)ethyl ester
- CAS-3563-01-7
- BRD-K48282247-001-01-4
- DIDYGLSKVUKRRP-UHFFFAOYSA-N
- BENZENEACETIC ACID, .ALPHA.-METHYL-.ALPHA.-PHENYL-, 2-(DIETHYLAMINO)ETHYL ESTER
- SR-01000883700
- 2-Diethylaminoethyl 2,2-diphenylpropionate
- Aprophen
物化性质
实验特性
| 折射率 |
1.537 |
| 沸点 |
434.8°Cat760mmHg |
| 闪点 |
132.5°C |
| 密度 |
1.041 |
计算特性
| 精确分子量 |
325.204 |
| 氢键供体数量 |
0 |
| 氢键受体数量 |
3 |
| 可旋转化学键数量 |
9 |
| 同位素质量 |
325.204 |
| 重原子数量 |
24 |
| 复杂度 |
348 |
| 同位素原子数量 |
0 |
| 确定原子立构中心数量 |
0 |
| 不确定原子立构中心数量 |
0 |
| 确定化学键立构中心数量 |
0 |
| 不确定化学键立构中心数量 |
0 |
| 共价键单元数量 |
1 |
| 疏水参数计算参考值（XlogP） |
3.8 |
| 拓扑分子极性表面积 |
29.5A^2 |
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