4-Nitro-9-(dimethylaminopropylamino)acridine
Basic information
- CAS
6691-68-5- Standard SMILES
CN(C)CCCNc1c2ccccc2nc2c([N+](=O)[O-])cccc12- InChIKey
JFUUMQINKRRVCL-UHFFFAOYSA-N- Molecular formula
- C18H20N4O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.15862589
Names & identifiers
- Preferred name
- 4-Nitro-9-(dimethylaminopropylamino)acridine
- IUPAC
- N',N'-dimethyl-N-(4-nitroacridin-9-yl)propane-1,3-diamine
Names & synonyms
4-Nitro-9-(dimethylaminopropylamino)acridine6691-68-5ACRIDINE, 9-((3-(DIMETHYLAMINO)PROPYL)AMINO)-4-NITRO-CR2Q33F3N61,3-Propanediamine, N,N-dimethyl-N'-(4-nitro-9-acridinyl)-CCRIS 1977C 265BRN 0494098UNII-CR2Q33F3N6DTXSID70217062C-265N,N-Dimethyl-N'-(4-nitro-acridin-9-yl)-propane-1,3-diamine
Show more names
1,3-PROPANEDIAMINE, N1,N1-DIMETHYL-N3-(4-NITRO-9-ACRIDINYL)-N~1~,N~1~-Dimethyl-N~3~-(4-nitroacridin-9-yl)propane-1,3-diamineN1,N1-DIMETHYL-N3-(4-NITRO-9-ACRIDINYL)-1,3-PROPANEDIAMINE
Database identifiers
- CAS
6691-68-5- PubChem CID
- 23157
- DTXSID
DTXSID70217062- UNII
- CR2Q33F3N6
- Nikkaji
- J337.110G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 426
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…