Basic information
- Standard SMILES
C=C(CC(N)=O)C(N)=O- InChIKey
JGBOVFKUKBGAJQ-UHFFFAOYSA-N- Molecular formula
- C5H8N2O2
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.0585775
Names & identifiers
- Preferred name
- Itaconamide
- IUPAC
- 2-methylidenebutanediamide
- English name
- 2-Methylenesuccinamide
- Molecular formula
- C5H8N2O2
- Molecular weight
- 128.13
Names & synonyms
ItaconamideItaconic diamideButanediamide, 2-methylene-3786-29-6Succinamide, 2-methylene-287SW8OJ4OUNII-287SW8OJ4ONSC 439742-METHYLENEBUTANEDIAMIDENSC-43974DTXSID30191298RefChem:150197
Show more names
1-Propene-2,3-dicarboxamide
DTXCID40113789JGBOVFKUKBGAJQ-UHFFFAOYSA-N2-methylidenebutanediamideitaconic amideNSC439742-Methylenesuccinamide2-Methylenesuccinamide #SCHEMBL370642
Database identifiers
- CAS
3786-29-6- PubChem CID
- 239162
- DTXSID
DTXSID30191298- ChEMBL
CHEMBL5532373- UNII
- 287SW8OJ4O
- Nikkaji
- J60.774F
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 193 · 193-194 °C(Solv: water (7732-18-5))
- Boiling point
- 441.1 · 441.1±45.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 15.68 · 15.68±0.50(Predicted)
- FDA UNII
- 287 SW8OJ4O · 287SW8OJ4O
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
4 records
Linked notes
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