4-(2-Nitro-1H-imidazol-4-ylmethyl)-morpholine
Basic information
- CAS
92334-80-0- Standard SMILES
O=[N+]([O-])c1ncc(CN2CCOCC2)[nH]1- InChIKey
MKMZROCYDLCMAD-UHFFFAOYSA-N- Molecular formula
- C8H12N4O3
- Average molar mass
- 212.21 g/mol
- Monoisotopic mass
- 212.09094026
Names & identifiers
- Preferred name
- 4-(2-Nitro-1H-imidazol-4-ylmethyl)-morpholine
- IUPAC
- 4-[(2-nitro-1H-imidazol-5-yl)methyl]morpholine
Names & synonyms
92334-80-04-(2-Nitro-1H-imidazol-4-ylmethyl)-morpholine4-[(2-nitro-1H-imidazol-5-yl)methyl]morpholineNSC347479SCHEMBL1126099DTXSID70319570MKMZROCYDLCMAD-UHFFFAOYSA-NNSC-347479DS-0051784-(2-Nitro-1H-imidazol-4-ylmethyl)morpholine4-[(2-nitro-3H-imidazol-4-yl)methyl]morpholine
Database identifiers
- CAS
92334-80-0- PubChem CID
- 335833
- DTXSID
DTXSID70319570
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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