Basic information
- CAS
86842-39-9- Standard SMILES
CCCC(CCC)(CCC)c1nn[nH]n1- InChIKey
DRSVCBLVASLXNI-UHFFFAOYSA-N- Molecular formula
- C11H22N4
- Average molar mass
- 210.32 g/mol
- Monoisotopic mass
- 210.18444672
Names & identifiers
- Preferred name
- 5-(4-Propylheptan-4-yl)-2H-tetrazole
- IUPAC
- 5-(4-propylheptan-4-yl)-2H-tetrazole
- English name
- 5-(1,1-Dipropylbutyl)-5H-tetrazole
- Molecular formula
- C11H22N4
- Molecular weight
- 210.32
Names & synonyms
86842-39-95-(4-propylheptan-4-yl)-2H-tetrazoleDTXSID901007143RefChem:1072477DTXCID5014340035-(1,1-Dipropylbutyl)-5H-tetrazole5H-Tetrazole, 5-(1,1-dipropylbutyl)-2H-Tetrazole, 5-(1,1-dipropylbutyl)-
Database identifiers
- CAS
86842-39-9- PubChem CID
- 3070747
- DTXSID
DTXSID901007143
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 328.082 · 328.082±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.987 · 0.987±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.132 · 5.132±0.10(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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