1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;5-methyl-2H-benzotriazole
Basic information
- CAS
68480-32-0- Standard SMILES
Cc1ccc2n[nH]nc2c1.Cc1ccccc1N=C(N)N=C(N)N- InChIKey
QIODUCJJLFVRJB-UHFFFAOYSA-N- Molecular formula
- C16H20N8
- Average molar mass
- 324.38 g/mol
- Monoisotopic mass
- 324.18109267
Names & identifiers
- Preferred name
- 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;5-methyl-2H-benzotriazole
- IUPAC
- 1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;5-methyl-2H-benzotriazole
Names & synonyms
1-(o-Tolyl)biguanide, compound with 5-methyl-1H-benzotriazole (1:1)
Database identifiers
- CAS
68480-32-0- PubChem CID
- 110377
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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