N-Carbamimidoyl-3,4,5-trimethoxybenzene-1-carbohydrazonic acid--sulfuric acid (2/1)
Basic information
- CAS
38261-23-3- Standard SMILES
COc1cc(C(=O)N[NH+]=C(N)N)cc(OC)c1OC.COc1cc(C(=O)N[NH+]=C(N)N)cc(OC)c1OC.O=S(=O)([O-])[O-]- InChIKey
HYQQUYMUGQKCKX-UHFFFAOYSA-N- Molecular formula
- C22H34N8O12S
- Average molar mass
- 634.6 g/mol
- Monoisotopic mass
- 634.20168972
Names & identifiers
- Preferred name
- N-Carbamimidoyl-3,4,5-trimethoxybenzene-1-carbohydrazonic acid--sulfuric acid (2/1)
- IUPAC
- bis(diaminomethylidene-[(3,4,5-trimethoxybenzoyl)amino]azanium);sulfate
Names & synonyms
38261-23-3DTXSID50959195N-Carbamimidoyl-3,4,5-trimethoxybenzene-1-carbohydrazonic acid--sulfuric acid (2/1)RefChem:1091664DTXCID4013870813,4,5-Trimethoxybenzoic acid 2-(aminoiminomethyl)hydrazide sulfate (2:1)BENZOIC ACID, 3,4,5-TRIMETHOXY-, 2-(AMINOIMINOMETHYL)HYDRAZIDE, SULFATE (2:1)
Database identifiers
- CAS
38261-23-3- PubChem CID
- 37998
Properties
Computed structural properties
- Topological polar surface area
- 334 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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