Cas no 658689-32-8 (Benzoic acid, 3-[(diethylamino)methyl]-, methyl ester)
![Benzoic acid, 3-[(diethylamino)methyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/659000/658689-32-8x500.png)
658689-32-8 structure
Product Name:Benzoic acid, 3-[(diethylamino)methyl]-, methyl ester
CAS No:658689-32-8
MF:C13H19NO2
MW:221.29546380043
CID:1691930
Update Time:2024-09-02
Benzoic acid, 3-[(diethylamino)methyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-[(diethylamino)methyl]-, methyl ester
- methyl 3-((diethylamino)methyl)benzoate
-
- Inchi： 1S/C13H19NO2/c1-4-14(5-2)10-11-7-6-8-12(9-11)13(15)16-3/h6-9H,4-5,10H2,1-3H3
- InChI Key： SBJZGERXYGXOPQ-UHFFFAOYSA-N
- SMILES： C(OC)(=O)C1=CC=CC(CN(CC)CC)=C1
Computed Properties
- Exact Mass: 221.14167
Experimental Properties
- Density: 1.020±0.06 g/cm3(Predicted)
- Boiling Point: 295.2±23.0 °C(Predicted)
- PSA: 29.54
- pka: 9.43±0.25(Predicted)
Benzoic acid, 3-[(diethylamino)methyl]-, methyl ester Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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