3-Azabicyclo(3.2.1)octane-3-acetic acid, 1,8,8-trimethyl-, ethyl ester, hydrochloride
Basic information
- CAS
1213-02-1- Standard SMILES
CCOC(=O)C[NH+]1CC2CCC(C)(C1)C2(C)C.[Cl-]- InChIKey
NAMIBFKYRFGVHV-UHFFFAOYSA-N- Molecular formula
- C14H26ClNO2
- Average molar mass
- 275.81 g/mol
- Monoisotopic mass
- 275.1652068
Names & identifiers
- Preferred name
- 3-Azabicyclo(3.2.1)octane-3-acetic acid, 1,8,8-trimethyl-, ethyl ester, hydrochloride
- IUPAC
- ethyl 2-(1,8,8-trimethyl-3-azoniabicyclo[3.2.1]octan-3-yl)acetate chloride
Names & synonyms
N-Ethoxycarbonylmethylcamphidine hydrochloride1,8,8-Trimethyl-3-azabicyclo(3.2.1)octane-3-acetic acid ethyl ester hydrochloride3-Azabicyclo(3.2.1)octane-3-acetic acid, 1,8,8-trimethyl-, ethyl ester, hydrochloride1213-02-1RefChem:276757
Database identifiers
- CAS
1213-02-1- PubChem CID
- 14602
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
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