Basic information
- CAS
37055-69-9- Standard SMILES
COc1cc(C(=O)NN=C(N)N)cc(O)c1O- InChIKey
LTAWBQDGEYMNHI-UHFFFAOYSA-N- Molecular formula
- C9H12N4O4
- Average molar mass
- 240.22 g/mol
- Monoisotopic mass
- 240.08585488
Overview
RN given refers to HCl; RN for parent cpd not in Chemline 8/4/83; structure
Names & identifiers
- Preferred name
- 3,4-Dihydroxy-5-methoxybenzoylaminoguanidine
- IUPAC
- N-(diaminomethylideneamino)-3,4-dihydroxy-5-methoxybenzamide
Names & synonyms
37055-69-93,4-Dihydroxy-5-methoxybenzoylaminoguanidineRefChem:91139Benzoic acid, 3,4-dihydroxy-5-methoxy-, 2-(aminoiminomethyl)hydrazide, monohydrochlorideN-(diaminomethylideneamino)-3,4-dihydroxy-5-methoxybenzamideDTXSID50958224N-Carbamimidoyl-3,4-dihydroxy-5-methoxybenzene-1-carbohydrazonic acid
Database identifiers
- CAS
37055-69-9- PubChem CID
- 37192
- DTXSID
DTXSID50958224
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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