(Z)-N-(2,3,4-Trihydroxybenzylidene)glycinamide
Basic information
- CAS
780695-97-8- Standard SMILES
NCC(=O)N=Cc1ccc(O)c(O)c1O- InChIKey
NKKRYURFOQCSMZ-UHFFFAOYSA-N- Molecular formula
- C9H10N2O4
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.0640568
Names & identifiers
- Preferred name
- (Z)-N-(2,3,4-Trihydroxybenzylidene)glycinamide
- IUPAC
- 2-amino-N-[(2,3,4-trihydroxyphenyl)methylidene]acetamide
- English name
- Acetamide, 2-amino-N-[(2,3,4-trihydroxyphenyl)methylene]- (9CI)
- Molecular formula
- C9H10N2O4
- Molecular weight
- 210.19
Names & synonyms
780695-97-8(Z)-N-(2,3,4-Trihydroxybenzylidene)glycinamideDB-273430ACETAMIDE, 2-AMINO-N-[(2,3,4-TRIHYDROXYPHENYL)METHYLENE]-Acetamide, 2-amino-N-[(2,3,4-trihydroxyphenyl)methylene]- (9CI)
Database identifiers
- CAS
780695-97-8- PubChem CID
- 136251882
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 461.021 · 461.021±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.505 · 1.505±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.646 · 7.646±0.45(predicted)
- HS Code
- 2924299090 · 2924299090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2924299090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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