Basic information
- CAS
50341-85-0- Standard SMILES
CN(C)CCNC(=O)C1Cc2ccccc2CN1- InChIKey
HGELOQHEYZXOJS-UHFFFAOYSA-N- Molecular formula
- C14H21N3O
- Average molar mass
- 247.34 g/mol
- Monoisotopic mass
- 247.1684623
Names & identifiers
- Preferred name
- 3-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-N-(2-(dimethylamino)ethyl)-
- IUPAC
- N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
- English name
- N-[2-(Dimethylamino)ethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
- Molecular formula
- C14H21N3O
- Molecular weight
- 247.34
Names & synonyms
50341-85-0BRN 04145231,2,3,4-Tetrahydro-N-(2-(dimethylamino)ethyl)-3-isoquinolinecarboxamideN-(2-(Dimethylamino)ethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamideN-[2-(Dimethylamino)ethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide3-ISOQUINOLINECARBOXAMIDE, 1,2,3,4-TETRAHYDRO-N-(2-(DIMETHYLAMINO)ETHYL)-RefChem:280167N-[2-(DIMETHYLAMINO)ETHYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDECHEMBL4515578DTXSID50964628AKOS000195715DB-266015
Show more names
3-Isoquinolinecarboxamide, N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydro-
EN300-58138AB00990225-01N-[2-(dimethylamino)ethyl ]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamideN-[2-(Dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboximidic acid
Database identifiers
- CAS
50341-85-0
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 452.4 · 452.4±45.0 °C(Predicted)
- Density
- 1.079 · 1.079±0.06 g/cm3(Predicted)
- pka
- 15.02 · 15.02±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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