Basic information
- CAS
40174-37-6- Standard SMILES
Cc1ccnc2c1ccc1ccccc12- InChIKey
RYLSMBLMTHOIEW-UHFFFAOYSA-N- Molecular formula
- C14H11N
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.08914936
Names & identifiers
- Preferred name
- 7,8-Benzlepidine
- IUPAC
- 4-methylbenzo[h]quinoline
- English name
- 4-Methylbenzo[h]quinoline
- Molecular formula
- C14H11N
- Molecular weight
- 193.24
Names & synonyms
4-methylbenzo[h]quinoline7,8-Benzlepidine40174-37-64-Methylbenzo(h)quinolineBenzo(h)quinoline, 4-methyl-FNN70Y1QK5NSC 109768BRN 0134015UNII-FNN70Y1QK5NSC-109768DTXSID609606165-20-08-00256 (Beilstein Handbook Reference)
Show more names
Benzo[h]quinoline, 4-methyl-
RefChem:199145DTXCID701388464NSC109768MLS001196739CHEMBL1734111SCHEMBL11473713SCHEMBL29720527HMS1612F16
Database identifiers
- CAS
40174-37-6- PubChem CID
- 97264
- DTXSID
DTXSID60960616- ChEMBL
CHEMBL1734111- UNII
- FNN70Y1QK5
- Nikkaji
- J87.919C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 77 · 77-78 °C
- Boiling point
- 152 · 152-156 °C(Press: 0.2 Torr)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 5.38 · 5.38±0.40(Predicted)
- FDA UNII
- 70 Y1QK5 · FNN70Y1QK5
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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