Basic information
- CAS
22270-65-1- Standard SMILES
CC(C)CC(=O)NCC[n+]1c[nH]c2ccccc21.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1- InChIKey
GLCBSUZNLJKRNP-UHFFFAOYSA-N- Molecular formula
- C20H22N6O8
- Average molar mass
- 474.4 g/mol
- Monoisotopic mass
- 474.14991168
Names & identifiers
- Preferred name
- Butyramide, N-(2-(1-benzimidazolyl)ethyl)-3-methyl-, monopicrate
- IUPAC
- N-[2-(3H-benzimidazol-1-ium-1-yl)ethyl]-3-methylbutanamide;2,4,6-trinitrophenolate
Names & synonyms
N-(2-(1-Benzimidazolyl)ethyl)-3-methyl-butyramide monopicrateBUTYRAMIDE, N-(2-(1-BENZIMIDAZOLYL)ETHYL)-3-METHYL-, MONOPICRATE22270-65-1RefChem:331187
Database identifiers
- CAS
22270-65-1- PubChem CID
- 31107
Properties
Computed structural properties
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 572
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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