Basic information
- Standard SMILES
COC(=O)/C=C/c1ccc(N)c(N)c1- InChIKey
NXEAQWMROJDRRP-HWKANZROSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
Names & identifiers
- Preferred name
- methyl (2E)-3-(3,4-diaminophenyl)prop-2-enoate
- IUPAC
- methyl (E)-3-(3,4-diaminophenyl)prop-2-enoate
Names & synonyms
methyl (2E)-3-(3,4-diaminophenyl)prop-2-enoate494854-43-2SCHEMBL5225706NXEAQWMROJDRRP-HWKANZROSA-Nmethyl (2E)-3-(3,4-diaminophenyl)acrylateEN300-8620462
Database identifiers
- PubChem CID
- 53486922
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Related reactions
2 records
Compound notes
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