Basic information
- CAS
28917-15-9- Standard SMILES
O=[N+]([O-])NC1=NCCCCN1- InChIKey
IIUAUCCKFFABTQ-UHFFFAOYSA-N- Molecular formula
- C5H10N4O2
- Average molar mass
- 158.16 g/mol
- Monoisotopic mass
- 158.08037557
Names & identifiers
- Preferred name
- 1H-1,3-Diazepine, hexahydro-2-(nitroimino)-
- IUPAC
- N-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)nitramide
Names & synonyms
28917-15-9DTXSID101831111H-1,3-DIAZEPINE, HEXAHYDRO-2-(NITROIMINO)-RefChem:237116DTXCID201056024-25-00-04689 (Beilstein Handbook Reference)BRN 0155652Hexahydro-2-(nitroimino)-1H-1,3-diazepineOH 56N-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)nitramideN-(4,5,6,7-tetrahydro-1H-[1,3]diazepin-2-yl)-nitramideSCHEMBL10655127
Database identifiers
- CAS
28917-15-9- PubChem CID
- 34366
- DTXSID
DTXSID10183111
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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