Basic information
- CAS
77280-91-2- Standard SMILES
CCCCCCNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl.Cl- InChIKey
JEWVXBXBNITZRB-UHFFFAOYSA-N- Molecular formula
- C22H30Cl2N4O2
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 452.1745816
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride
- IUPAC
- N-hexyl-N'-(1-nitroacridin-9-yl)propane-1,3-diamine;dihydrochloride
- English name
- 1-Nitro-9-(3-hexylaminopropylamino)acridine dihydrochloride
- Molecular weight
- 0
Names & synonyms
C 100677280-91-21,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-, dihydrochloride1-Nitro-9-(3-hexylaminopropylamino)acridine dihydrochloride9-((3-(Hexylamino)propyl)amino)-1-nitroacridine dihydrochlorideDTXSID70228012Acridine, 9-((3-(hexylamino)propyl)amino)-1-nitro-, dihydrochlorideRefChem:219530DTXCID90150503N~1~-Hexyl-N~3~-(1-nitroacridin-9-yl)propane-1,3-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
77280-91-2- PubChem CID
- 149591
- DTXSID
DTXSID70228012
Properties
Computed structural properties
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 470
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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