Basic information
- CAS
29284-47-7- Standard SMILES
O=C(CCl)N1CCCCCNC1=O- InChIKey
FMZJXHFXUWNDQH-UHFFFAOYSA-N- Molecular formula
- C8H13ClN2O2
- Average molar mass
- 204.65 g/mol
- Monoisotopic mass
- 204.0665554
Names & identifiers
- Preferred name
- 1-(Chloroacetyl)-1,3-diazocan-2-one
- IUPAC
- 1-(2-chloroacetyl)-1,3-diazocan-2-one
- English name
- 1,3-Diazocin-2(1H)-one, 1-(chloroacetyl)hexahydro- (8CI)
- Molecular formula
- C8H13ClN2O2
- Molecular weight
- 204.65402
Names & synonyms
29284-47-71-(Chloroacetyl)-1,3-diazocan-2-oneDTXSID806642801,3-Diazocin-2(1H)-one, 1-(chloroacetyl)hexahydro- (8CI)
Database identifiers
- CAS
29284-47-7- PubChem CID
- 45081007
- DTXSID
DTXSID80664280
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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