4-Azido-2-nitrobenzyltrimethylammonium
Basic information
- CAS
29428-29-3- Standard SMILES
C[N+](C)(C)Cc1ccc(N=[N+]=[N-])cc1[N+](=O)[O-].F[B-](F)(F)F- InChIKey
SECQLDRJUUHGEF-UHFFFAOYSA-N- Molecular formula
- C10H14BF4N5O2
- Average molar mass
- 323.06 g/mol
- Monoisotopic mass
- 323.1176675
Overview
RN given refers to tetrafluoroborate; RN for parent cpd not in Chemline 8/11/83
Names & identifiers
- Preferred name
- 4-Azido-2-nitrobenzyltrimethylammonium
- IUPAC
- (4-azido-2-nitrophenyl)methyl-trimethylazanium tetrafluoroborate
Names & synonyms
4-Anbtma29428-29-34-Azido-2-nitrobenzyltrimethylammoniumRefChem:979044-Azido-2-nitrobenzyltrimethylammonium fluoroborateDTXSID20951949(4-azido-2-nitrophenyl)methyl-trimethylazanium;tetrafluoroborate4-azido-2-nitro-benzyl-trimethyl-ammonium fluoroborate(4-Azido-2-nitrophenyl)-N,N,N-trimethylmethanaminium tetrafluoridoborate(1-)Benzenemethanaminium, 4-azido-N,N,N-trimethyl-2-nitro-, tetrafluoroborate(1-)
Database identifiers
- CAS
29428-29-3- PubChem CID
- 3036675
- DTXSID
DTXSID20951949
Properties
Computed structural properties
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
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Related reactions
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Compound notes
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