Benzylamine, 2,6-dimethoxy-N,N-dimethyl-, picrate
Basic information
- CAS
29175-73-3- Standard SMILES
COc1cccc(OC)c1C[NH+](C)C.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1- InChIKey
MFQMAJYDYMEBQI-UHFFFAOYSA-N- Molecular formula
- C17H20N4O9
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.12302823
Names & identifiers
- Preferred name
- Benzylamine, 2,6-dimethoxy-N,N-dimethyl-, picrate
- IUPAC
- (2,6-dimethoxyphenyl)methyl-dimethylazanium;2,4,6-trinitrophenolate
Names & synonyms
2,6-Dimethoxy-N,N-dimethylbenzylamine picrateBENZYLAMINE, 2,6-DIMETHOXY-N,N-DIMETHYL-, PICRATE29175-73-3DTXSID10183434RefChem:328767DTXCID20105925(2,6-Dimethoxyphenyl)-N,N-dimethylmethanaminium 2,4,6-trinitrophenolate
Database identifiers
- CAS
29175-73-3- PubChem CID
- 34489
- DTXSID
DTXSID10183434
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 441
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…