2-Methyl-2-propylpropane-1,3-diyl dinitrate
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Basic information
- CAS
10605-24-0- Standard SMILES
CCCC(C)(CO[N+](=O)[O-])CO[N+](=O)[O-]- InChIKey
BLJBDLGFKNXUCB-UHFFFAOYSA-N- Molecular formula
- C7H14N2O6
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.08518617
Names & identifiers
- Preferred name
- 2-Methyl-2-propylpropane-1,3-diyl dinitrate
- IUPAC
- [2-methyl-2-(nitrooxymethyl)pentyl] nitrate
- English name
- 2-methyl-2-propylpropane-1,3-diyl dinitrate
- Molecular formula
- C7H14N2O6
- Molecular weight
- 222.2
Names & synonyms
2-Methyl-2-propylpropane-1,3-diyl dinitrate10605-24-0methylpropylpropanediol dinitrateEINECS 234-233-6NITRAL [WHO-DD]C317706XA7DTXSID80147487METHYLPROPYLPROPANEDIOL DINITRATE [WHO-DD]2-METHYL-2-PROPYL-1,3-PROPANEDIOL DINITRATE2-METHYL-1-(NITROOXY)-2-[(NITROOXY)METHYL]PENTANE2-methyl-1-(nitrooxy)-2-((nitrooxy)methyl)pentaneRefChem:475220
Show more names
1,3-Propanediol, 2-methyl-2-propyl-, 1,3-dinitrateDinitric acid 2-methyl-2-propylpropane-1,3-diyl ester
DTXCID9069978234-233-6NITRALUNII-C317706XA71,3-Propanediol, 2-methyl-2-n-propyl-, dinitrateSCHEMBL1922429BLJBDLGFKNXUCB-UHFFFAOYSA-NDB13408
Database identifiers
- CAS
10605-24-0- PubChem CID
- 25430
- DTXSID
DTXSID80147487- ChEMBL
CHEMBL3707209- UNII
- C317706XA7
- EC Number
- 234-233-6
- Nikkaji
- J9.879E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 66 · 66-67 °C(Press: 0.2 Torr)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- FDA UNII
- 317706 XA7 · C317706XA7
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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