Basic information
- CAS
4290-21-5- Standard SMILES
CC1(C)Cc2[nH]c3ccccc3c2C(C)(C)N1- InChIKey
KTRMOHGEUZMGAM-UHFFFAOYSA-N- Molecular formula
- C15H20N2
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.16264865
Names & identifiers
- Preferred name
- 1,1,3,3-Tetramethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
- IUPAC
- 1,1,3,3-tetramethyl-4,5-dihydro-2H-pyrido[4,3-b]indole
- English name
- 1,1,3,3-Tetramethyl-1,2,3,4-tetrahydro-γ-carboline
- Molecular formula
- C15H20N2
- Molecular weight
- 228.33
Names & synonyms
1,1,3,3-Tetramethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole4290-21-51,1,3,3-tetramethyl-4,5-dihydro-2H-pyrido[4,3-b]indoleNSC608448Oprea1_471230CHEMBL1625630SCHEMBL12882294KTRMOHGEUZMGAM-UHFFFAOYSA-NDTXSID5013458721H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-1,1,3,3-tetramethyl-STK897837AKOS005639014
Show more names
2,2,4,4-tetramethyl-1,2,3,4-tetrahydro-γ-carboline1,1,3,3-Tetramethyl-1,2,3,4-tetrahydro-γ-carboline1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-1,1,3,3-tetramethyl-
NSC-608448EU-0066823UNM000011055501SR-01000389526SR-01000389526-1Q634093412,2,4,4-Tetramethyl-1,2,3,4-tetrahydro-.beta.-carboline2,2,4,4-TETRAMETHYL-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE
Database identifiers
- CAS
4290-21-5- PubChem CID
- 354526
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 357.8 · 357.8±32.0 °C(Predicted)
- Density
- 1.03 · 1.030±0.06 g/cm3(Predicted)
- pka
- 17.86 · 17.86±0.60(Predicted)
Chemistry & industry
Suppliers2 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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