Benzylamine, N,N-diethyl-2,6-dimethoxy-, picrate
Basic information
- CAS
29175-74-4- Standard SMILES
CC[NH+](CC)Cc1c(OC)cccc1OC.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1- InChIKey
CVGUTJHSPHBSRF-UHFFFAOYSA-N- Molecular formula
- C19H24N4O9
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 452.15432836
Names & identifiers
- Preferred name
- Benzylamine, N,N-diethyl-2,6-dimethoxy-, picrate
- IUPAC
- (2,6-dimethoxyphenyl)methyl-diethylazanium;2,4,6-trinitrophenolate
Names & synonyms
N,N-Diethyl-2,6-dimethoxybenzylamine picrateBENZYLAMINE, N,N-DIETHYL-2,6-DIMETHOXY-, PICRATE2-Diethylaminomethyl-1,3-dimethoxybenzenepicrateBenzene, 2-diethylaminomethyl-1,3-dimethoxy-, picrate29175-74-4DTXSID70183435RefChem:328799DTXCID80105926N-[(2,6-Dimethoxyphenyl)methyl]-N-ethylethanaminium 2,4,6-trinitrophenolate
Database identifiers
- CAS
29175-74-4- PubChem CID
- 34491
- DTXSID
DTXSID70183435
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 462
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Compound notes
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