Basic information
- CAS
6520-56-5- Standard SMILES
CN(C)CCC(=O)NC1CCc2ccccc21.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
UYXSBDKJZLNNCT-UHFFFAOYSA-N- Molecular formula
- C20H23N5O8
- Average molar mass
- 461.4 g/mol
- Monoisotopic mass
- 461.15466271
Names & identifiers
- Preferred name
- 1-Indanamine, N-(2-dimethylaminopropionyl)-, picrate
- IUPAC
- N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)propanamide;2,4,6-trinitrophenol
Names & synonyms
6520-56-51-Indanamine, N-(2-dimethylaminopropionyl)-, picrateRefChem:1055612N-(2-Dimethylaminopropionyl)-1-indanamine picrateDTXSID20983785N-(2,3-Dihydro-1H-inden-1-yl)-3-(dimethylamino)propanimidic acid--2,4,6-trinitrophenol (1/1)
Database identifiers
- CAS
6520-56-5- PubChem CID
- 110877
- DTXSID
DTXSID20983785
Properties
Computed structural properties
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 557
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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