Basic information
- CAS
94440-40-1- Standard SMILES
CCCCC(C(=O)Nc1onc(C)c1C)[NH+](C)C.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1- InChIKey
KZEHVFUOOTZBAJ-UHFFFAOYSA-N- Molecular formula
- C19H26N6O9
- Average molar mass
- 482.4 g/mol
- Monoisotopic mass
- 482.17612643
Names & identifiers
- Preferred name
- 2-(Dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)hexanimidic acid--2,4,6-trinitrophenol (1/1)
- IUPAC
- [1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-1-oxohexan-2-yl]-dimethylazanium;2,4,6-trinitrophenolate
Names & synonyms
94440-40-1RefChem:1061762DTXCID4013445022-(Dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)hexanimidic acid--2,4,6-trinitrophenol (1/1)DTXSID109155302-(Dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)hexanamide picrateHEXANAMIDE, 2-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-, PICRATE[1-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-1-oxohexan-2-yl]-dimethylazanium;2,4,6-trinitrophenolateCID56765, LS-74963, 2-(Dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)hexanamide picrate, HEXANAMIDE, 2-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-, PICRATE, 94440-40-1
Database identifiers
- CAS
94440-40-1- PubChem CID
- 56765
Properties
Computed structural properties
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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