Basic information
- Standard SMILES
NCCO[N+](=O)[O-].O=[N+]([O-])O- InChIKey
HEIWCRRLFLDZIT-UHFFFAOYSA-N- Molecular formula
- C2H7N3O6
- Average molar mass
- 169.09 g/mol
- Monoisotopic mass
- 169.03348494
Names & identifiers
- Preferred name
- Ethanol, 2-amino-, 1-nitrate, nitrate (1:1)
- IUPAC
- 2-aminoethyl nitrate;nitric acid
Names & synonyms
4665-58-12-Nitratoethylamine nitrate2-Nitratoethanolamine nitrateEthanol, 2-amino-, 1-nitrate, nitrate (1:1)Ethanol, 2-amino-, nitrate (ester), mononitrate (salt)RefChem:1383092-aminoethyl nitrate; nitric acid2-aminoethyl nitrate;nitric acidnitroxyethylamine nitrate2-nitroxyethylamine nitrate2-nitrooxyethylamine nitrate2-nitroxy-ethylamine nitrate
Show more names
2-nitrooxy-ethylamine nitrateSCHEMBL220511DTXSID60928054N-(2-nitrooxyethyl)amine nitrateN-(2-nitrooxyethyl)-amine nitrateNitric acid--2-aminoethyl nitrate (1/1)133300-54-6
Database identifiers
- CAS
133300-54-6、4665-58-1- PubChem CID
- 78397
- DTXSID
DTXSID60928054
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 83.2
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-amino-, 1-nitrate, nitrate (1:1): INACTIVE
Related reactions
98 records
Linked notes
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