(Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate
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Basic information
- CAS
38734-38-2- Standard SMILES
Nc1ccc(C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1- InChIKey
SOGHCSKBULRSRK-GOEBONIOSA-N- Molecular formula
- C17H24N2O2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.18377801
Names & identifiers
- Preferred name
- (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate
- IUPAC
- [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 4-aminobenzoate
- English name
- 2H-Quinolizine-1-methanol, octahydro-, 4-aminobenzoate (ester)
- Molecular weight
- 0
Names & synonyms
38734-38-2DTXSID20959546(Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoateRefChem:1051009DTXCID501387422Lupicaine[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 4-aminobenzoate2H-Quinolizine-1-methanol, octahydro-, 4-aminobenzoate (ester)Lupinine p-aminobenzoateBRN 0021347Octahydro-2H-quinolizine-1-methanol p-aminobenzoateOprea1_360457
Show more names
4-21-00-00295 (Beilstein Handbook Reference)orb16963012,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 4-aminobenzoateAKOS024274619ST005735T32972AG-205/12010115octahydro-2H-quinolizin-1-ylmethyl 4-aminobenzoate
Database identifiers
- CAS
38734-38-2- PubChem CID
- 217381
- DTXSID
DTXSID20959546
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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