Cas no 87996-46-1 (Propanediamide, N-methyl-)
Propanediamide, N-methyl- structure
Product Name:Propanediamide, N-methyl-
CAS No:87996-46-1
MF:C4H8N2O2
MW:116.118520736694
CID:649030
PubChem ID:14510872
Update Time:2025-04-19
Propanediamide, N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanediamide, N-methyl-
- N'-methylpropanediamide
- SCHEMBL410254
- N~1~-Methylpropanediamide
- DTXSID50561136
- monomethyl malonamide
- 87996-46-1
- AKOS006337506
-
- Inchi： 1S/C4H8N2O2/c1-6-4(8)2-3(5)7/h2H2,1H3,(H2,5,7)(H,6,8)
- InChI Key： ZTIZMENJNZDJFS-UHFFFAOYSA-N
- SMILES： O=C(CC(N)=O)NC
Computed Properties
- Exact Mass: 116.058577502g/mol
- Monoisotopic Mass: 116.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 111
- 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: 72.2?2
Propanediamide, N-methyl- Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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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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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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