Basic information
- CAS
50341-98-5- Standard SMILES
CN(C)CCOC(=O)C1NCCc2ccccc21- InChIKey
PMDPZQIYJZLBFB-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247789
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
- IUPAC
- 2-(dimethylamino)ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
- English name
- 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid [2-(dimethylamino)ethyl] ester
- Molecular formula
- C14H20N2O2
- Molecular weight
- 248.32
Names & synonyms
50341-98-5DTXSID109646292-(dimethylamino)ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylateRefChem:1061777DTXCID6013923211,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid 2-(dimethylamino)ethyl ester3-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-, 2-(DIMETHYLAMINO)ETHYL ESTER1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid [2-(dimethylamino)ethyl] ester
Database identifiers
- CAS
50341-98-5- PubChem CID
- 39653
- DTXSID
DTXSID10964629- Nikkaji
- J574.707D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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