Ethyl (1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)acetate--hydrogen chloride (1/1)
Basic information
- CAS
1213-02-1- Standard SMILES
CCOC(=O)CN1CC2CCC(C)(C1)C2(C)C.Cl- InChIKey
NAMIBFKYRFGVHV-UHFFFAOYSA-N- Molecular formula
- C14H26ClNO2
- Average molar mass
- 275.81 g/mol
- Monoisotopic mass
- 275.1652068
Overview
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Names & identifiers
- Preferred name
- Ethyl (1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)acetate--hydrogen chloride (1/1)
- IUPAC
- ethyl 2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)acetate;hydrochloride
Names & synonyms
DTXSID50923755Ethyl (1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)acetate--hydrogen chloride (1/1)
Database identifiers
- CAS
1213-02-1- PubChem CID
- 138397635
- DTXSID
DTXSID50923755
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
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Compound notes
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