Basic information
- CAS
87395-60-6- Standard SMILES
CN1C2CCC(OC(=O)C34CC5CC(CC(C5)C3)C4)C1CC2- InChIKey
UIGHAFKYTZOCKS-UHFFFAOYSA-N- Molecular formula
- C19H29NO2
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.21982917
Names & identifiers
- Preferred name
- 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 1-adamantanecarboxylate (ester), (+)-
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-2-yl) adamantane-1-carboxylate
- English name
- [1R,5S,(+)]-Tropane-2α-yl=1-adamantanecarboxylate
- Molecular formula
- C19H29NO2
- Molecular weight
- 303.443
Names & synonyms
87395-60-6(+)-1-Adamantanecarboxylic acid 1-alpha-H,5-alpha-H-tropan-2-alpha-yl ester1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 1-adamantanecarboxylate (ester), (+)-Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, 8-methyl-8-azabicyclo(3.2.1)oct-2-yl ester, (1R-endo)-RefChem:227411DTXSID6010075328-METHYL-8-AZABICYCLO[3.2.1]OCTAN-2-YL ADAMANTANE-1-CARBOXYLATE[1R,5S,(+)]-Tropane-2α-yl=1-adamantanecarboxylate
Database identifiers
- CAS
87395-60-6- PubChem CID
- 64532
- DTXSID
DTXSID601007532
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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