Basic information
- CAS
77156-02-6- Standard SMILES
CC1(C)C2CCC1(C)C(N1CCCCC1)C2OC(=O)c1ccc(N)cc1- InChIKey
GNWAMXNYZREYAS-UHFFFAOYSA-N- Molecular formula
- C22H32N2O2
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.24637827
Names & identifiers
- Preferred name
- Bornan-3-endo-ol, 2-exo-piperidino-, p-aminobenzoate (ester)
- IUPAC
- (4,7,7-trimethyl-3-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl) 4-aminobenzoate
- English name
- 1,7,7-Trimethyl-2-exo-piperidinobicyclo(2.2.1)heptan-3-endo-ol p-amino benzoate (ester)
- Molecular formula
- C22H32N2O2
- Molecular weight
- 356.5
Names & synonyms
2-exo-Piperidino-bornan-3-endo-ol p-aminobenzoate77156-02-6BORNAN-3-endo-OL, 2-exo-PIPERIDINO-, p-AMINOBENZOATE (ester)1,7,7-Trimethyl-2-exo-piperidinobicyclo(2.2.1)heptan-3-endo-ol p-aminobenzoate (ester)RefChem:330151DTXSID809984114,7,7-TRIMETHYL-3-(PIPERIDIN-1-YL)BICYCLO[2.2.1]HEPTAN-2-YL 4-AMINOBENZOATE(4,7,7-trimethyl-3-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl) 4-aminobenzoate1,7,7-Trimethyl-2-exo-piperidinobicyclo(2.2.1)heptan-3-endo-ol p-amino benzoate (ester)Bicyclo[2.2.1]heptan-2-ol, 4,7,7-trimethyl-3-(1-piperidinyl)-, 4-aminobenzoate (ester), (2-endo,3-exo)- (9CI)
Database identifiers
- CAS
77156-02-6- PubChem CID
- 53591
- DTXSID
DTXSID80998411
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 534
Physicochemical properties
- Boiling point
- 486.5 · 486.5±25.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 8.62 · 8.62±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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