Basic information
- CAS
3340-93-0- Standard SMILES
Cc1c2ccccc2nc2ccc3ccccc3c12- InChIKey
IIPYOAZDUATCMJ-UHFFFAOYSA-N- Molecular formula
- C18H13N
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.10479942
Overview
not a carcinogen
Names & identifiers
- Preferred name
- 12-Methylbenz(a)acridine
- IUPAC
- 12-methylbenzo[a]acridine
- English name
- 12-methylbenz(a)acridine
- Molecular formula
- C18H13N
- Molecular weight
- 243.3
Names & synonyms
12-Methylbenz(a)acridine3340-93-012-Methylbenz[a]acridineDTXSID80187045RefChem:78248DTXCID9010953612-methylbenzo[a]acridine9-Methyl-1,2-benzacridine10-Methyl-5,6-benzacridineBRN 0179104Benz(a)acridine, 12-methyl-AF-960/00446016
Show more names
Benz[a]acridine, 12-methyl-
Database identifiers
- CAS
3340-93-0- PubChem CID
- 76860
- DTXSID
DTXSID80187045- Nikkaji
- J35.263B
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 144.5 °C · 144.5°C
- Boiling point
- 376.18 °C · 376.18°C (rough estimate)
- Density
- 0.8933 · 0.8933 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- pka
- 6.08 · 6.08±0.30(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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