Basic information
- CAS
16101-08-9- Standard SMILES
COc1ccc2nc3c(C)c4cc[nH]c(C)c4cc3c2c1- InChIKey
ULYVKQSCHAJLQG-UHFFFAOYSA-N- Molecular formula
- C18H16N2O
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.12626314
Names & identifiers
- Preferred name
- 9-Methoxy-1,5-dimethyl-6H-pyrido[4,3-b]carbazole
- IUPAC
- 9-methoxy-1,5-dimethyl-2H-pyrido[4,3-b]carbazole
- English name
- 9-methoxy-1,5-dimethyl-6H-pyrido[4,3-b]carbazole
- Molecular formula
- C18H16N2O
- Molecular weight
- 276.33
Names & synonyms
9-Methoxy-1,5-dimethyl-6H-pyrido[4,3-b]carbazole16101-08-99-Methoxy-1,5-dimethyl-6H-pyrido(4,3-b)carbazoleEINECS 240-265-19-methoxy-1,5-dimethyl-2H-pyrido[4,3-b]carbazoleCHEMBL357631DTXSID30167054RVJXLUHXHYTGNH-UHFFFAOYSA-NNS000252506H-Pyrido[4,3-b]carbazole, 9-methoxy-1,5-dimethyl-
Database identifiers
- CAS
16101-08-9- PubChem CID
- 85284
- DTXSID
DTXSID30167054- ChEMBL
CHEMBL357631- EC Number
- 240-265-1
- Nikkaji
- J286.819I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 648
Physicochemical properties
- Melting point
- 291 · 291-293 °C
- Boiling point
- 523.4 · 523.4±45.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- pka
- 16.23 · 16.23±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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