Cas no 727674-35-3 (1,3-Benzenedicarboxamide,5-amino-N1,N3-dicyclopropyl-)
727674-35-3 structure
Product Name:1,3-Benzenedicarboxamide,5-amino-N1,N3-dicyclopropyl-
CAS No:727674-35-3
MF:C14H17N3O2
MW:259.303683042526
CID:559022
Update Time:2024-03-05
1,3-Benzenedicarboxamide,5-amino-N1,N3-dicyclopropyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxamide,5-amino-N1,N3-dicyclopropyl-
- 1,3-Benzenedicarboxamide,5-amino-N,N'-dicyclopropyl- (9CI)
- 1,3-Benzenedicarboxamide,5-amino-N,N-dicyclopropyl-(9CI)
- 1,3-Benzenedicarboxamide, 5-amino-N1,N3-dicyclopropyl-
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- Inchi： 1S/C14H17N3O2/c15-10-6-8(13(18)16-11-1-2-11)5-9(7-10)14(19)17-12-3-4-12/h5-7,11-12H,1-4,15H2,(H,16,18)(H,17,19)
- InChI Key： ZDVCVJCQNLJEFZ-UHFFFAOYSA-N
- SMILES： C1(C(NC2CC2)=O)=CC(N)=CC(C(NC2CC2)=O)=C1
Computed Properties
- Exact Mass: 259.132
- Monoisotopic Mass: 259.132
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 343
- 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
Experimental Properties
- Density: 1.31±0.1 g/cm3(Predicted)
- Boiling Point: 511.1±45.0 °C(Predicted)
- pka: 14.29±0.20(Predicted)
1,3-Benzenedicarboxamide,5-amino-N1,N3-dicyclopropyl- Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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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
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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