6H-Cyclohepta(b)quinoline, 11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-3-nitro-
Basic information
- CAS
18833-62-0- Standard SMILES
CN(C)CCCOc1c2c(nc3cc([N+](=O)[O-])ccc13)CCCCC2- InChIKey
PTFLXZSEEVIXLH-UHFFFAOYSA-N- Molecular formula
- C19H25N3O3
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.18959167
Names & identifiers
- Preferred name
- 6H-Cyclohepta(b)quinoline, 11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-3-nitro-
- IUPAC
- N,N-dimethyl-3-[(3-nitro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)oxy]propan-1-amine
- English name
- 11-[3-(Dimethylamino)propoxy]-7,8,9,10-tetrahydro-3-nitro-6H-cyclohepta[b]quinoline
- Molecular formula
- C19H25N3O3
- Molecular weight
- 343.42
Names & synonyms
18833-62-0DTXSID701721826H-Cyclohepta(b)quinoline, 11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-3-nitro-RefChem:1074172DTXCID8094673N,N-dimethyl-3-[(3-nitro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)oxy]propan-1-amine11-(3-(Dimethylamino)propoxy)-7,8,9,10-tetrahydro-3-nitro-6H-cyclohepta(b)quinoline11-[3-(Dimethylamino)propoxy]-7,8,9,10-tetrahydro-3-nitro-6H-cyclohepta[b]quinolineBRN 15060316H-Cyclohepta(b)quinoline, 11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-3-nitro-,1-Propanamine, N,N-dimethyl-3-[(7,8,9,10-tetrahydro-3-nitro-6H-cyclohepta[b]quinolin-11-yl)oxy]-
Database identifiers
- CAS
18833-62-0- PubChem CID
- 29279
- DTXSID
DTXSID70172182- Nikkaji
- J75.305J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Boiling point
- 511.6 · 511.6±50.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- pka
- 9.16 · 9.16±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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