Basic information
- CAS
17074-42-9- Standard SMILES
CC[NH+](CC)CC[NH2+]c1c2ccccc2nc2cccc([N+](=O)[O-])c12.[Cl-].[Cl-]- InChIKey
SITOYHMQEWFWHJ-UHFFFAOYSA-N- Molecular formula
- C19H24Cl2N4O2
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 410.1276314
Names & identifiers
- Preferred name
- C 516
- IUPAC
- diethyl-[2-[(1-nitroacridin-9-yl)azaniumyl]ethyl]azanium dichloride
Names & synonyms
C-5161-Nitro-9-(diethylaminoethylamine)-acridine dihydrochloride17074-42-9ACRIDINE, 9-((2-(DIETHYLAMINO)ETHYL)AMINO)-1-NITRO-, DIHYDROCHLORIDE1-Nitro-9-(diethylaminoethylamino)-acridine-2 hydrochlorideC 5161,2-Ethanediamine, N,N-diethyl-N'-(1-nitro-9-acridinyl)-, dihydrochlorideRefChem:3314931,2-Ethanediamine, N,N-diethyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride (9CI)
Database identifiers
- CAS
17074-42-9- PubChem CID
- 28244
Properties
Computed structural properties
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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