3-Benzyl-5-methyl-5-nitro-1,3-oxazinane--hydrogen chloride (1/1)
Basic information
- CAS
32051-36-8- Standard SMILES
CC1([N+](=O)[O-])COCN(Cc2ccccc2)C1.Cl- InChIKey
NWDXAIHHPVXKIV-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2O3
- Average molar mass
- 272.73 g/mol
- Monoisotopic mass
- 272.0927701
Names & identifiers
- Preferred name
- 3-Benzyl-5-methyl-5-nitro-1,3-oxazinane--hydrogen chloride (1/1)
- IUPAC
- 3-benzyl-5-methyl-5-nitro-1,3-oxazinane;hydrochloride
Names & synonyms
32051-36-8DTXSID409539253-Benzyl-5-methyl-5-nitro-1,3-oxazinane--hydrogen chloride (1/1)RefChem:1067385DTXCID301381961OK-23-Benzyl-5-methyl-5-nitrotetrahydro-2H-1,3-oxazine hydrochlorideSCHEMBL293947632H-1,3-Oxazine, tetrahydro-3-benzyl-5-methyl-5-nitro-, hydrochloride
Database identifiers
- CAS
32051-36-8- PubChem CID
- 208362
- DTXSID
DTXSID40953925
Properties
Computed structural properties
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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