Cas no 28736-09-6 (Benzamide, 2-(2-propenylamino)-)
28736-09-6 structure
Product Name:Benzamide, 2-(2-propenylamino)-
CAS No:28736-09-6
MF:C10H12N2O
MW:176.215082168579
CID:1436248
PubChem ID:11126800
Update Time:2025-04-20
Benzamide, 2-(2-propenylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, 2-(2-propenylamino)-
- 2-(prop-2-enylamino)benzamide
- 28736-09-6
- SCHEMBL1326322
- DTXSID80456122
-
- Inchi： 1S/C10H12N2O/c1-2-7-12-9-6-4-3-5-8(9)10(11)13/h2-6,12H,1,7H2,(H2,11,13)
- InChI Key： CNPJTDUQTGBTBI-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1NCC=C)N
Computed Properties
- Exact Mass: 176.09506
- Monoisotopic Mass: 176.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 191
- 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: 1.5
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- PSA: 55.12
Benzamide, 2-(2-propenylamino)- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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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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