Xanthene-9-carboxylic Acid 2-(Diethylamino)ethyl Ester | 24539-72-8
Xanthene-9-carboxylic Acid 2-(Diethylamino)ethyl Ester
24539-72-8
C20H23NO3
325.40152
名称和标识符
InChIKey |
HIGMQFBAGGGECD-UHFFFAOYSA-N |
Inchi |
InChI=1S/C20H23NO3/c1-3-21(4-2)13-14-23-20(22)19-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)19/h5-12,19H,3-4,13-14H2,1-2H3 |
SMILES |
CCN(CCOC(C1C2=CC=CC=C2OC2=CC=CC=C12)=O)CC |
别名信息
- 英文别名 -
- 9H-Xanthene-9-carboxylicacid, 2-(diethylamino)ethyl ester
- 9-xanthene carboxylic acid
- 9-Xanthenylcarboxylic acid
- CHEMBL520
- Maybridge1_006340
- N,N-diethylaminoethyl xanthene-9-carboxylate
- PubChem17697
- SureCN40617
- Xanthanoic acid
- Xanthen-9-carbonsaeure
- Xanthen-9-carbonsaeure-(2-diaethylamino-aethylester)
- Xanthene-9-carboxylic acid
- Xanthenecarboxylic acid
- NSC-108248
- Q27271009
- SC-920
- Ethanamine, N,N-diethyl-2-[(9H-xanthen-9-ylcarbonyl)oxy]-
- Xanthene-9-carboxylic Acid 2-(Diethylamino)ethyl Ester
- CHEMBL1621438
- HIGMQFBAGGGECD-UHFFFAOYSA-N
- CCG-23148
- 2-(Diethylamino)ethyl 9H-xanthene-9-carboxylate #
- AO-365/41546269
- .beta.-Diethylaminoethylxathene-9-carboxylate
- 9-Xanthenecarboxylic acid 2-diethylaminoethyl ester
- DTXSID60947422
- SCHEMBL4393593
- NCGC00245951-01
- NSC108248
- Xanthene-9-carboxylic acid, 2-(diethylamino)ethyl ester
- 8U0R2UZJ07
- 24539-72-8
- AKOS001671918
- Z30279469
- 9H-Xanthene-9-carboxylic acid, 2-(diethylamino)ethyl ester
- 2-(Diethylamino)ethyl 9H-xanthene-9-carboxylate
- UNII-8U0R2UZJ07
- 9H-Xanthene-9-carboxylic acid, 2-diethylaminoethyl ester
物化性质
实验特性
LogP |
3.80920 |
PSA |
38.77 |
折射率 |
1.569 |
沸点 |
430.7°Cat760mmHg |
闪点 |
214.3°C |
密度 |
1.143 |
计算特性
精确分子量 |
325.16789 |
氢键供体数量 |
0 |
氢键受体数量 |
4 |
可旋转化学键数量 |
7 |
同位素质量 |
325.168 |
重原子数量 |
24 |
复杂度 |
388 |
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) |
3.3 |
拓扑分子极性表面积 |
38.8Ų |
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