Cas no 141288-44-0 (Benzoic acid, 3,5-diamino-, phenyl ester)
141288-44-0 structure
Product Name:Benzoic acid, 3,5-diamino-, phenyl ester
CAS No:141288-44-0
MF:C13H12N2O2
MW:228.246582984924
CID:1304800
PubChem ID:20565566
Update Time:2025-04-20
Benzoic acid, 3,5-diamino-, phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3,5-diamino-, phenyl ester
- phenyl 3,5-diaminobenzoate
- DTXSID60608788
- 141288-44-0
- SCHEMBL2633411
-
- Inchi： 1S/C13H12N2O2/c14-10-6-9(7-11(15)8-10)13(16)17-12-4-2-1-3-5-12/h1-8H,14-15H2
- InChI Key： GMIYURCWSJKRKX-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C(C1C=C(C=C(C=1)N)N)=O
Computed Properties
- Exact Mass: 228.08996
- Monoisotopic Mass: 228.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 254
- 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: 2.2
- Topological Polar Surface Area: 78.3?2
Experimental Properties
- PSA: 78.34
Benzoic acid, 3,5-diamino-, phenyl ester Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
141288-44-0 (Benzoic acid, 3,5-diamino-, phenyl ester) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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