Basic information
- CAS
338417-23-5- Standard SMILES
CN(C)c1nnnn1-c1ccc(F)cc1F- InChIKey
NMMRXKLQJBJEQO-UHFFFAOYSA-N- Molecular formula
- C9H9F2N5
- Average molar mass
- 225.2 g/mol
Names & identifiers
- Preferred name
- N-[1-(2,4-difluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]-N,N-dimethylamine
- IUPAC
- 1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine
- English name
- 1-(2,4-Difluorophenyl)-N,N-dimethyl-1H-1,2,3,4-tetraazol-5-amine
- Molecular formula
- C9H9F2N5
- Molecular weight
- 225.2
Names & synonyms
338417-23-5N-[1-(2,4-difluorophenyl)-1H-1,2,3,4-tetraazol-5-yl]-N,N-dimethylamineMFCD001274461-(2,4-difluorophenyl)-N,N-dimethyl-1H-1,2,3,4-tetrazol-5-amine1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amineC9H9F2N5AKOS0159926994C-0051-(2,4-difluorophenyl)-N,N-dimethyl-tetrazol-5-amine1-(2,4-Difluorophenyl)-N,N-dimethyl-1H-tetrazol-5-amine1H-Tetrazol-5-amine, 1-(2,4-difluorophenyl)-N,N-dimethyl-1-(2,4-Difluorophenyl)-N,N-dimethyl-1H-1,2,3,4-tetraazol-5-amine
Database identifiers
- CAS
338417-23-5
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 318 · 318.0±52.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 1.69 · 1.69±0.29(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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