Cas no 83846-87-1 (Benzoic acid,3,5-bis[(1-oxopropyl)amino]-)
![Benzoic acid,3,5-bis[(1-oxopropyl)amino]- structure](https://ossimg.kuujia.com/scimg/84000/83846-87-1x500.png)
83846-87-1 structure
Product Name:Benzoic acid,3,5-bis[(1-oxopropyl)amino]-
CAS No:83846-87-1
MF:C13H16N2O4
MW:264.277143478394
CID:728239
PubChem ID:893385
Update Time:2025-04-19
Benzoic acid,3,5-bis[(1-oxopropyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3,5-bis[(1-oxopropyl)amino]-
- 3,5-bis(propanoylamino)benzoic acid
- 3,5-bis[(1-oxopropyl)amino]benzoic acid
- DTXSID101003947
- HMS1590G22
- 3,5-Bis[(1-hydroxypropylidene)amino]benzoic acid
- 83846-87-1
- 3,5-Bis((1-oxopropyl)amino)benzoic acid
- 3,5-bis(propionylamino)benzoic acid
- SR-01000265559-1
- AKOS003303342
- EINECS 281-067-5
- SR-01000265559
- NS00061183
-
- Inchi： 1S/C13H16N2O4/c1-3-11(16)14-9-5-8(13(18)19)6-10(7-9)15-12(17)4-2/h5-7H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)
- InChI Key： DWFNEOGXOLFRRK-UHFFFAOYSA-N
- SMILES： O=C(CC)NC1C=C(C(=O)O)C=C(C=1)NC(CC)=O
Computed Properties
- Exact Mass: 264.11100700g/mol
- Monoisotopic Mass: 264.11100700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 331
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 95.5?2
Benzoic acid,3,5-bis[(1-oxopropyl)amino]- Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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