8-Nitro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
Basic information
- CAS
93623-56-4- Standard SMILES
Nc1c2c(c([N+](=O)[O-])c3c1CCC3)CCC2- InChIKey
UYGZKZDCSRPOSU-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- 8-Nitro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
- IUPAC
- 8-nitro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
- English name
- 8-nitro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
- Molecular formula
- C12H14N2O2
- Molecular weight
- 218.25
Names & synonyms
8-nitro-1,2,3,5,6,7-hexahydro-s-indacen-4-amine93623-56-4SCHEMBL19474939MFCD32691534BS-47499F77481EN300-20140583F781740s-Indacen-4-amine, 1,2,3,5,6,7-hexahydro-8-nitro-
Database identifiers
- CAS
93623-56-4- PubChem CID
- 86106621
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 422.6 · 422.6±45.0 °C(Predicted)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 0.82 · 0.82±0.20(Predicted)
- Appearance
- Brown to reddish brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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