Basic information
- CAS
20820-41-1- Standard SMILES
CCC(CO[N+](=O)[O-])O[N+](=O)[O-]- InChIKey
CTISQZXTUUHJNC-UHFFFAOYSA-N- Molecular formula
- C4H8N2O6
- Average molar mass
- 180.12 g/mol
- Monoisotopic mass
- 180.03823598
Names & identifiers
- Preferred name
- 1-nitrooxybutan-2-yl Nitrate
- IUPAC
- 1-nitrooxybutan-2-yl nitrate
- English name
- 1-nitrooxybutan-2-yl nitrate
- Molecular formula
- C4H8N2O6
- Molecular weight
- 180.12
Names & synonyms
1-nitrooxybutan-2-yl Nitrate20820-41-1butane-1,2-diyl dinitrate1,2-Butanediol dinitrate1,2-butandiol dinitrate1,2-BUTYLDINITRATESCHEMBL4365158SCHEMBL8266897DTXSID408755771,2-Butanediol, 1,2-dinitrate
Database identifiers
- CAS
20820-41-1- PubChem CID
- 89393
- DTXSID
DTXSID40875577- Nikkaji
- J623.652I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
LogP2.36
Physicochemical properties
- Henry's Law Constant
- 2.1 · 2.1×10-1 mol/(m3Pa) at 25℃, Fischer and Ballschmiter (1998)
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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