Basic information
- CAS
13365-38-3- Standard SMILES
CN(C)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1- InChIKey
WBERNRVMJQYKKR-UHFFFAOYSA-N- Molecular formula
- C21H19N3
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.15789762
Names & identifiers
- Preferred name
- N4-9-Acridinyl-N1,N1-dimethyl-1,4-benzenediamine
- IUPAC
- 1-N-acridin-9-yl-4-N,4-N-dimethylbenzene-1,4-diamine
- English name
- N-[4-(Dimethylamino)phenyl]-9-acridinamine
- Molecular formula
- C21H19N3
- Molecular weight
- 313.4
Names & synonyms
ACRIDINE, 9-(p-DIMETHYLAMINOANILINO)-9-(p-Dimethylaminoanilino)acridine13365-38-3T97FI0JKU3NSC-13002BRN 0487364UNII-T97FI0JKU3DTXSID00158292N4-9-Acridinyl-N1,N1-dimethyl-1,4-benzenediamineN-Acridin-9-yl-N',N'-dimethyl-benzene-1,4-diamine1,4-BENZENEDIAMINE, N4-9-ACRIDINYL-N1,N1-DIMETHYL-RefChem:164346
Show more names
9-[4-(Dimethylamino)anilino]acridineN-[4-(Dimethylamino)phenyl]-9-acridinamine9-[[p-(Dimethylamino)phenyl]amino]acridine1-N-acridin-9-yl-4-N,4-N-dimethylbenzene-1,4-diamine
DTXCID6080783WBERNRVMJQYKKR-UHFFFAOYSA-NWIN 1701NSC 130021,4-Benzenediamine, N'-9-acridinyl-N,N-dimethyl-Acridine, 9-((p-(dimethylamino)phenyl)amino)-9-((p-(Dimethylamino)phenyl)amino)acridineN'-9-Acridinyl-N,N-dimethyl-1,4-benzenediamine
Database identifiers
- CAS
13365-38-3- PubChem CID
- 25926
- DTXSID
DTXSID00158292
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 443.2 °C · 443.2°C (rough estimate)
- Density
- 1.1361 · 1.1361 (rough estimate)
- refractive index
- 1.638 · 1.6380 (estimate)
- pka
- 8.83 · 8.83±0.10(Predicted)
- FDA UNII
- 97 FI0JKU3 · T97FI0JKU3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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