Basic information
- CAS
40505-21-3- Standard SMILES
Nc1ccc2cc3ccc(Cl)cc3nc2c1- InChIKey
OCESZSGMAAGZGO-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2
- Average molar mass
- 228.67 g/mol
- Monoisotopic mass
- 228.045426
Names & identifiers
- Preferred name
- Acridine, 3-amino-6-chloro-
- IUPAC
- 6-chloroacridin-3-amine
- English name
- 6-Chloro-3-acridinamine
- Molecular formula
- C13H9ClN2
- Molecular weight
- 228.68
Names & synonyms
ACRIDINE, 3-AMINO-6-CHLORO-40505-21-3DTXSID50193517RefChem:1076054DTXCID901160086-chloroacridin-3-amine3-Acridinamine, 6-chloro-6-Chloro-3-acridinamineNSC-5097362-Amino-8-chloroacridine (European)NSC 509736BRN 0166486
Show more names
NSC5097363-Amino-6-chloroacridine4-22-00-04989 (Beilstein Handbook Reference)CHEMBL342982SCHEMBL11057520V83X956RR5
Database identifiers
- CAS
40505-21-3- PubChem CID
- 38501
- DTXSID
DTXSID50193517- ChEMBL
CHEMBL342982- UNII
- V83X956RR5
- Nikkaji
- J55.083C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 211 · 211-212 °C
- Boiling point
- 456 · 456.0±15.0 °C(Predicted)
- Density
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- pka
- 7.32 · 7.32±0.10(Predicted)
- FDA UNII
- 83 X956RR5 · V83X956RR5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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