Basic information
- CAS
338748-24-6- Standard SMILES
CN(C)c1nc(N(C)C)n(Cc2ccc(Br)cc2)n1- InChIKey
VQHAWPLNLSALMW-UHFFFAOYSA-N- Molecular formula
- C13H18BrN5
- Average molar mass
- 324.22 g/mol
- Monoisotopic mass
- 323.07456
Names & identifiers
- Preferred name
- 1-(4-Bromobenzyl)-N3,N3,N5,N5-tetramethyl-1H-1,2,4-triazole-3,5-diamine
- IUPAC
- 1-[(4-bromophenyl)methyl]-3-N,3-N,5-N,5-N-tetramethyl-1,2,4-triazole-3,5-diamine
- English name
- 1-(4-BROMOBENZYL)-N3,N3,N5,N5-TETRAMETHYL-1H-1,2,4-TRIAZOLE-3,5-DIAMINE
- Molecular formula
- C13H18BrN5
- Molecular weight
- 324.22
Names & synonyms
338748-24-61-(4-Bromobenzyl)-N3,N3,N5,N5-tetramethyl-1H-1,2,4-triazole-3,5-diamine1-[(4-bromophenyl)methyl]-N3,N3,N5,N5-tetramethyl-1H-1,2,4-triazole-3,5-diamine1-[(4-bromophenyl)methyl]-3-N,3-N,5-N,5-N-tetramethyl-1,2,4-triazole-3,5-diamineOprea1_572391AKOS0050903504M-712N-[1-(4-BROMOBENZYL)-3-(DIMETHYLAMINO)-1H-1,2,4-TRIAZOL-5-YL]-N,N-DIMETHYLAMINE1H-1,2,4-Triazole-3,5-diamine, 1-[(4-bromophenyl)methyl]-N3,N3,N5,N5-tetramethyl-
Database identifiers
- CAS
338748-24-6- PubChem CID
- 1476840
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 449.1 · 449.1±47.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 5.47 · 5.47±0.50(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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