Basic information
- CAS
20064-00-0- Standard SMILES
C[NH+](C)CCC[NH2+]c1c2ccccc2[n+]([O-])c2cccc([N+](=O)[O-])c12.[Cl-].[Cl-]- InChIKey
CPKSCBUZCWCNRA-UHFFFAOYSA-N- Molecular formula
- C18H22Cl2N4O3
- Average molar mass
- 413.3 g/mol
- Monoisotopic mass
- 412.106896
Overview
RN given refers to parent cpd; structure in second source
Names & identifiers
- Preferred name
- C 684
- IUPAC
- dimethyl-[3-[(1-nitro-10-oxidoacridin-10-ium-9-yl)azaniumyl]propyl]azanium dichloride
Names & synonyms
C-684RefChem:917787SN-240301-nitro-9-(dimethylaminopropylamino)acridine N-oxide1-nitro-9-(3-dimethylaminopropylamino)acridine N-10-oxide1,3-Propanediamine, N,N-dimethyl-N'-(1-nitro-9-acridinyl)-, N-oxide20063-73-4C 684Nitracrine N-oxideACRIDINE, 9-((3-(DIMETHYLAMINO)PROPYL)AMINO)-1-NITRO-, N-OXIDE, DIHYDROCHLORIDENSC 2955031-Nitro-9-(3-dimethylaminopropylamine)-acridine N-oxide dihydrochloride
Show more names
dimethyl-[3-[(1-nitro-10-oxidoacridin-10-ium-9-yl)azaniumyl]propyl]azanium;dichloride
Database identifiers
- CAS
20064-00-0- PubChem CID
- 29929
Properties
Computed structural properties
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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