3-Heptanone, 4-amino-6-methyl-, hydrochloride
Basic information
- CAS
4014-62-4- Standard SMILES
CCC(=O)C(N)CC(C)C.Cl- InChIKey
VHULXZLDDFFPJH-UHFFFAOYSA-N- Molecular formula
- C8H18ClNO
- Average molar mass
- 179.69 g/mol
- Monoisotopic mass
- 179.1076919
Names & identifiers
- Preferred name
- 3-Heptanone, 4-amino-6-methyl-, hydrochloride
- IUPAC
- 4-amino-6-methylheptan-3-one;hydrochloride
- English name
- 3-Heptanone, 4-amino-6-methyl-, hydrochloride
- Molecular formula
- C8H18ClNO
- Molecular weight
- 179.69
Names & synonyms
3-Heptanone, 4-amino-6-methyl-, hydrochloride4014-62-44-Amino-6-methyl-heptanone-(3)-hydrochlorideDTXSID509605844-Amino-6-methylheptan-3-one--hydrogen chloride (1/1)
Database identifiers
- CAS
4014-62-4- PubChem CID
- 134473
- DTXSID
DTXSID50960584
Properties
Computed structural properties
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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