Basic information
- CAS
40553-77-3- Standard SMILES
Cc1c(N)ccc2cc3ccc(N)c(C)c3nc12- InChIKey
CSUWOZHJCIQEMQ-UHFFFAOYSA-N- Molecular formula
- C15H15N3
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.12659748
Names & identifiers
- Preferred name
- Acridine, 3,6-diamino-4,5-dimethyl-
- IUPAC
- 4,5-dimethylacridine-3,6-diamine
- English name
- 4,5-Dimethyl-3,6-acridinediamine
- Molecular formula
- C15H15N3
- Molecular weight
- 237.3
Names & synonyms
ACRIDINE, 3,6-DIAMINO-4,5-DIMETHYL-BRN 02114212,8-Diamino-1,9-dimethylacridine (European)40553-77-3DTXSID301935754-22-00-05499 (Beilstein Handbook Reference)RefChem:317079DTXCID701160664,5-dimethylacridine-3,6-diamineSCHEMBL6242670CSUWOZHJCIQEMQ-UHFFFAOYSA-N3,6-Diamino-4,5-dimethylacridine
Show more names
4,5-Dimethyl-3,6-acridinediamine3,6-Acridinediamine, 4,5-dimethyl-
Database identifiers
- CAS
40553-77-3- PubChem CID
- 38518
- DTXSID
DTXSID30193575- Nikkaji
- J55.101E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Boiling point
- 509.8 · 509.8±45.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- 9.77 · 9.77±0.10(Predicted)
Related reactions
1 records
Compound notes
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