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Basic information
- Standard SMILES
COc1cc(C(=O)OCCN=C(N)N)cc(OC)c1OC- InChIKey
JYNIXQCRJREXGW-UHFFFAOYSA-N- Molecular formula
- C13H19N3O5
- Average molar mass
- 297.31 g/mol
- Monoisotopic mass
- 297.13247072
Names & identifiers
- Preferred name
- 2-(Diaminomethylideneamino)ethyl 3,4,5-trimethoxybenzoate
- IUPAC
- 2-(diaminomethylideneamino)ethyl 3,4,5-trimethoxybenzoate
Database identifiers
- PubChem CID
- 53206
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
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Compound notes
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