Basic information
- CAS
58568-07-3- Standard SMILES
CC(C)CCOC(=O)C([NH3+])CCCC(C)(C)C.[Cl-]- InChIKey
ATIRIQLLAKMDGO-UHFFFAOYSA-N- Molecular formula
- C14H30ClNO2
- Average molar mass
- 279.84 g/mol
- Monoisotopic mass
- 279.1965069
Names & identifiers
- Preferred name
- 3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1)
- IUPAC
- [6,6-dimethyl-1-(3-methylbutoxy)-1-oxoheptan-2-yl]azanium chloride
Names & synonyms
58568-07-3DTXSID109741223-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1)RefChem:1068288DTXCID401401558DL-2-Amino-6,6-dimethylheptanoic acid isopentyl ester hydrochlorideDL-2-Amino-6,6-dimethylonanthsaureisoamylesterhydrochlorid [German]HEPTANOIC ACID, 2-AMINO-6,6-DIMETHYL-, ISOPENTYL ESTER, HYDROCHLORIDE, DL-DL-2-Amino-6,6-dimethylonanthsaureisoamylesterhydrochlorid
Database identifiers
- CAS
58568-07-3- PubChem CID
- 42779
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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