Cas no 157197-56-3 (Benzoic acid, 4-[(diethylamino)carbonyl]-3-methyl-)
![Benzoic acid, 4-[(diethylamino)carbonyl]-3-methyl- structure](https://ossimg.kuujia.com/scimg/157500/157197-56-3x500.png)
157197-56-3 structure
Product Name:Benzoic acid, 4-[(diethylamino)carbonyl]-3-methyl-
CAS No:157197-56-3
MF:C13H17NO3
MW:235.278983831406
CID:1332475
Update Time:2024-08-14
Benzoic acid, 4-[(diethylamino)carbonyl]-3-methyl- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-[(diethylamino)carbonyl]-3-methyl-
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- Inchi： 1S/C13H17NO3/c1-4-14(5-2)12(15)11-7-6-10(13(16)17)8-9(11)3/h6-8H,4-5H2,1-3H3,(H,16,17)
- InChI Key： UFCLUGGHFQGMEQ-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC=C(C(N(CC)CC)=O)C(C)=C1
Computed Properties
- Exact Mass: 235.12091
Experimental Properties
- Density: 1.139±0.06 g/cm3(Predicted)
- Boiling Point: 430.8±38.0 °C(Predicted)
- PSA: 57.61
- pka: 3.98±0.10(Predicted)
Benzoic acid, 4-[(diethylamino)carbonyl]-3-methyl- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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