Basic information
- CAS
13717-92-5- Standard SMILES
CCCc1nnc(CCC)nn1- InChIKey
DGZOKXCALOCJDX-UHFFFAOYSA-N- Molecular formula
- C8H14N4
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.12184646
Names & identifiers
- Preferred name
- 3,6-Dipropyl-1,2,4,5-tetrazine
- IUPAC
- 3,6-dipropyl-1,2,4,5-tetrazine
- English name
- 3,6-Dipropyl-1,2,4,5-tetrazine
- Molecular formula
- C8H14N4
- Molecular weight
- 166.22
Names & synonyms
3,6-dipropyl-1,2,4,5-tetrazine13717-92-5s-Tetrazine, 3,6-dipropyl-1,2,4,5-Tetrazine, 3,6-dipropyl-SCHEMBL29749802DTXSID10336620DGZOKXCALOCJDX-UHFFFAOYSA-N3,6-Dipropyl-1,2,4,5-tetraazine #
Database identifiers
- CAS
13717-92-5- PubChem CID
- 535019
- DTXSID
DTXSID10336620- Nikkaji
- J100.269D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 95.6
Physicochemical properties
- Boiling point
- 305.9 · 305.9±25.0 °C(Predicted)
- Density
- 1.032 · 1.032±0.06 g/cm3(Predicted)
- pka
- 2.4 · 2.40±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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