Basic information
- CAS
26995-96-0- Standard SMILES
NCCCCC(N)C(=O)CCl- InChIKey
PDBIHKPGRQQIEC-UHFFFAOYSA-N- Molecular formula
- C7H15ClN2O
- Average molar mass
- 178.66 g/mol
- Monoisotopic mass
- 178.0872908
Names & identifiers
- Preferred name
- 3,7-Diamino-1-chloroheptan-2-one
- IUPAC
- 3,7-diamino-1-chloroheptan-2-one
Names & synonyms
3,7-diamino-1-chloroheptan-2-one26995-96-02-Heptanone, 3,7-diamino-1-chloro-CHEMBL3247881SCHEMBL19205408DTXSID60330092
Database identifiers
- CAS
26995-96-0- PubChem CID
- 426387
- DTXSID
DTXSID60330092- ChEMBL
CHEMBL3247881
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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