Basic information
- CAS
21263-69-4- Standard SMILES
CN(C)CCCNc1ccccc1[N+](=O)[O-].Cl- InChIKey
DEXQMSAUJDKCIE-UHFFFAOYSA-N- Molecular formula
- C11H18ClN3O2
- Average molar mass
- 259.73 g/mol
- Monoisotopic mass
- 259.1087545
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N,N-dimethyl-N'-(o-nitrophenyl)-, monohydrochloride
- IUPAC
- N',N'-dimethyl-N-(2-nitrophenyl)propane-1,3-diamine;hydrochloride
Names & synonyms
21263-69-41,3-Propanediamine, N,N-dimethyl-N'-(o-nitrophenyl)-, monohydrochlorideRefChem:1052984N,N-Dimethyl-N'-(2-nitrophenyl)-1,3-propanediamine hydrochlorideChlorhydrate de N-(gamma-dimethylaminopropyl) ortho-nitraline [French]N-(Dimethylamino-3-propyl) o-nitraniline hydrochlorideDTXSID60943722N,N-Dimethyl-N'-(o-nitrophenyl)-1,3-propanediamine monohydrochloride1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrophenyl)-, monohydrochlorideChlorhydrate de N-(gamma-dimethylaminopropyl) ortho-nitralineN~1~,N~1~-Dimethyl-N~3~-(2-nitrophenyl)propane-1,3-diamine--hydrogen chloride (1/1)
Database identifiers
- CAS
21263-69-4- PubChem CID
- 210503
- DTXSID
DTXSID60943722
Properties
Computed structural properties
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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