3-Acridinamine
Basic information
- CAS
581-29-3- Standard SMILES
Nc1ccc2cc3ccccc3nc2c1- InChIKey
GHCKERHPOQWERJ-UHFFFAOYSA-N- Molecular formula
- C13H10N2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.08439833
Names & identifiers
- Preferred name
- 3-Acridinamine
- IUPAC
- acridin-3-amine
- English name
- acridin-3-ylamine
- Molecular formula
- C13H10N2
- Molecular weight
- 194.23
Names & synonyms
3-Aminoacridine3-Acridinamine581-29-3ACRIDINE, 3-AMINO-5T83GY5877DTXSID10206819RefChem:1067269DTXCID90129310209-461-4acridin-3-amineAcridin-3-ylamineCHEMBL148204
Show more names
3-Acridinamine(9CI)
CCRIS 21073-Aminoakridin [Czech]3-Aminoakridin2-Aminoacridine (European)EINECS 209-461-4BRN 0143200UNII-5T83GY58773-Amino-acridin
Database identifiers
- CAS
581-29-3- PubChem CID
- 11385
- DTXSID
DTXSID10206819- ChEMBL
CHEMBL148204- UNII
- 5T83GY5877
- EC Number
- 209-461-4
- Nikkaji
- J33.812E
Properties
Computed structural properties
- XLogP
- 2.8
- 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
SpringerMaterials PropertiesAngular frequency
LogP2.19
Physicochemical properties
- Melting point
- 224 °C · 224°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)
- Water Solubility
- 29.14 mg/L · 29.14mg/L(24 ºC)
- FDA UNII
- 5 T83GY5877 · 5T83GY5877
Chemistry & industry
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