Phthalic acid, compound with 1,3,5-triazine-2,4,6-triamine (1:2)
Basic information
- CAS
94087-42-0- Standard SMILES
Nc1nc(N)nc(N)n1.Nc1nc(N)nc(N)n1.O=C(O)c1ccccc1C(=O)O- InChIKey
HGXSXPWOOWFPMQ-UHFFFAOYSA-N- Molecular formula
- C14H18N12O4
- Average molar mass
- 418.37 g/mol
- Monoisotopic mass
- 418.1573971
Names & identifiers
- Preferred name
- Phthalic acid, compound with 1,3,5-triazine-2,4,6-triamine (1:2)
- IUPAC
- phthalic acid;bis(1,3,5-triazine-2,4,6-triamine)
Names & synonyms
EINECS 301-937-094087-42-0Phthalic acid, compound with 1,3,5-triazine-2,4,6-triamine (1:2)DTXSID20240426RefChem:173990DTXCID20162917301-937-0SCHEMBL29234747NS00092360Benzene-1,2-dicarboxylic acid--1,3,5-triazine-2,4,6-triamine (1/2)
Database identifiers
- CAS
94087-42-0- PubChem CID
- 44149014
- DTXSID
DTXSID20240426- EC Number
- 301-937-0
Properties
Computed structural properties
- Topological polar surface area
- 308 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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