2-(Diethylamino)-N-(2,3-dihydro-1H-inden-1-yl)ethanimidic acid--2,4,6-trinitrophenol (1/1)
Basic information
- CAS
6514-55-2- Standard SMILES
CCN(CC)CC(=O)NC1CCc2ccccc21.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
PSJULGJIFUOQIS-UHFFFAOYSA-N- Molecular formula
- C21H25N5O8
- Average molar mass
- 475.5 g/mol
- Monoisotopic mass
- 475.17031277
Names & identifiers
- Preferred name
- 2-(Diethylamino)-N-(2,3-dihydro-1H-inden-1-yl)ethanimidic acid--2,4,6-trinitrophenol (1/1)
- IUPAC
- 2-(diethylamino)-N-(2,3-dihydro-1H-inden-1-yl)acetamide;2,4,6-trinitrophenol
Names & synonyms
6514-55-2DTXSID009837082-(Diethylamino)-N-(2,3-dihydro-1H-inden-1-yl)ethanimidic acid--2,4,6-trinitrophenol (1/1)RefChem:1061581DTXCID801410939N-(2-Diethylaminoacetyl)-1-indanamine picrate1-Indanamine, N-(2-diethylaminoacetyl)-, picrate(Diethylamino)-N-(2,3-dihydro-1H-inden-1-yl)ethanimidic acid--2,4,6-trinitrophenol (1/1)
Database identifiers
- CAS
6514-55-2- PubChem CID
- 110873
- DTXSID
DTXSID00983708
Properties
Computed structural properties
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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