Cas no 3786-29-6 (Butanediamide,2-methylene-)
Butanediamide,2-methylene- structure
Product Name:Butanediamide,2-methylene-
CAS No:3786-29-6
MF:C5H8N2O2
MW:128.129220962524
CID:315917
PubChem ID:239162
Update Time:2025-04-19
Butanediamide,2-methylene- Chemical and Physical Properties
Names and Identifiers
-
- Butanediamide,2-methylene-
- 2-methylidenebutanediamide
- AC1L62K9
- AC1Q5IRC
- Itaconamide
- Itaconic diamide
- NSC43974
- Succinamide, 2-methylene-
- 3786-29-6
- DTXSID30191298
- NSC 43974
- AKOS006338235
- NSC-43974
- itaconic amide
- 287SW8OJ4O
- 2-Methylenesuccinamide #
- SCHEMBL370642
- Butanediamide, 2-methylene-
- UNII-287SW8OJ4O
- 2-METHYLENEBUTANEDIAMIDE
-
- Inchi： 1S/C5H8N2O2/c1-3(5(7)9)2-4(6)8/h1-2H2,(H2,6,8)(H2,7,9)
- InChI Key： JGBOVFKUKBGAJQ-UHFFFAOYSA-N
- SMILES： O=C(CC(=C)C(N)=O)N
Computed Properties
- Exact Mass: 128.05864
- Monoisotopic Mass: 128.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 162
- 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: -1.4
- Topological Polar Surface Area: 86.2?2
Experimental Properties
- PSA: 86.18
- LogP: 0.30390
Butanediamide,2-methylene- Related Literature
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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