Cas no 88194-05-2 (1,3-Benzenedicarboxylic acid, 5-(propylamino)-)
88194-05-2 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-(propylamino)-
CAS No:88194-05-2
MF:C11H13NO4
MW:223.225223302841
CID:641528
PubChem ID:71410110
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 5-(propylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 5-(propylamino)-
- 5-(propylamino)benzene-1,3-dicarboxylic acid
- SCHEMBL17938286
- DTXSID10829805
- 88194-05-2
-
- Inchi： 1S/C11H13NO4/c1-2-3-12-9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6,12H,2-3H2,1H3,(H,13,14)(H,15,16)
- InChI Key： BCDCQNKZRCVLLB-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C(=O)O)C=C(C=1)NCCC)=O
Computed Properties
- Exact Mass: 223.08445790g/mol
- Monoisotopic Mass: 223.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 245
- 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: 1.9
- Topological Polar Surface Area: 86.6?2
1,3-Benzenedicarboxylic acid, 5-(propylamino)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
88194-05-2 (1,3-Benzenedicarboxylic acid, 5-(propylamino)-) Related Products
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