Ammonium, dimethylphenethyl((2,6-xylylcarbamoyl)methyl)-, bromide
Basic information
- CAS
3039-08-5- Standard SMILES
Cc1cccc(C)c1NC(=O)C[N+](C)(C)CCc1ccccc1.[Br-]- InChIKey
BYNXWKFDUPRTKV-UHFFFAOYSA-N- Molecular formula
- C20H27BrN2O
- Average molar mass
- 391.3 g/mol
- Monoisotopic mass
- 390.13068
Names & identifiers
- Preferred name
- Ammonium, dimethylphenethyl((2,6-xylylcarbamoyl)methyl)-, bromide
- IUPAC
- [2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-(2-phenylethyl)azanium bromide
Names & synonyms
Dimethylphenethyl((2,6-xylylcarbamoyl)methyl)ammonium bromide3039-08-5AMMONIUM, DIMETHYLPHENETHYL((2,6-XYLYLCARBAMOYL)METHYL)-, BROMIDEBenzeneethanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-dimethyl-, bromideRefChem:319349
Database identifiers
- CAS
3039-08-5- PubChem CID
- 18221
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 364
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Compound notes
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