Basic information
- CAS
27254-80-4- Standard SMILES
Nc1cccc2nc3ccccc3cc12- InChIKey
LOMMDWBTANPFEJ-UHFFFAOYSA-N- Molecular formula
- C13H10N2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.08439832
Names & identifiers
- Preferred name
- 1-Acridinamine
- IUPAC
- acridin-1-amine
- English name
- 1-Aminoacridine
- Molecular formula
- C13H10N2
- Molecular weight
- 194.23
Names & synonyms
1-Aminoacridine1-Acridinamine578-06-3ACRIDINE, 1-AMINO-LB79BVP4V6NSC-170666DTXSID40870623RefChem:1054785DTXCID80818327acridin-1-amineMLS000521341SMR000131749
Show more names
1-Aminoakridin [Czech]1-Aminoakridin4-Aminoacridine (European)CCRIS 2105NSC 170666aminoacridinBRN 01411241-Amino-acridin
Database identifiers
- CAS
27254-80-4、578-06-3- PubChem CID
- 11352
- DTXSID
DTXSID40870623- ChEMBL
CHEMBL146525- UNII
- LB79BVP4V6
- Nikkaji
- J55.078G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
Chemical ClassesDyes -> Acridine Dyes
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 183 °C · 183°C
- Boiling point
- 320.68 °C · 320.68°C (rough estimate)
- Density
- 1.1579 · 1.1579 (rough estimate)
- refractive index
- 1.5014 · 1.5014 (estimate)
- pka
- 5.68 · 5.68±0.10(Predicted)
- Water Solubility
- 11.65 mg/L · 11.65mg/L(24 ºC)
- FDA UNII
- 79 BVP4V6 · LB79BVP4V6
Safety & regulation
Hazard information
Hazards SummarySee Acridine.
Related reactions
2 records
Compound notes
Loading…