Basic information
- CAS
77428-18-3- Standard SMILES
O=NN1CCCCC(O)C1- InChIKey
AEEHNHHXHZWHGB-UHFFFAOYSA-N- Molecular formula
- C6H12N2O2
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.08987763
Names & identifiers
- Preferred name
- Hexahydro-1-nitroso-1H-azepin-3-ol
- IUPAC
- 1-nitrosoazepan-3-ol
- English name
- Hexahydro-1-nitroso-1H-azepin-3-ol
- Molecular weight
- 0
Names & synonyms
1-nitrosoazepan-3-olHexahydro-1-nitroso-1H-azepin-3-ol77428-18-3beta-Hydroxy-N-nitrosohexamethyleneimine1H-AZEPIN-3-OL, HEXAHYDRO-1-NITROSO-DTXSID40998639
Database identifiers
- CAS
77428-18-3- PubChem CID
- 53663
- DTXSID
DTXSID40998639- Nikkaji
- J62.375J
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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