Basic information
- CAS
436089-50-8- Standard SMILES
COc1cccc(NC(=O)C[NH2+]Cc2ccccc2)c1- InChIKey
DBAHCMZSEHBBFP-UHFFFAOYSA-O- Molecular formula
- C16H19N2O2+
- Average molar mass
- 271.33 g/mol
- Monoisotopic mass
- 271.14465285
Names & identifiers
- Preferred name
- N-Benzyl-2-(3-methoxyanilino)-2-oxoethan-1-aminium
- IUPAC
- benzyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
- English name
- 2-Benzylamino-N-(3-methoxy-phenyl)-acetamide
- Molecular formula
- C16H18N2O2
- Molecular weight
- 270.33
Names & synonyms
DTXSID80426264N-Benzyl-2-(3-methoxyanilino)-2-oxoethan-1-aminium2-Benzylamino-N-(3-methoxy-phenyl)-acetamide
Database identifiers
- CAS
436089-50-8- PubChem CID
- 6969909
- DTXSID
DTXSID80426264
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 1
- Complexity
- 290
Chemistry & industry
Suppliers4 total
ASINEX-REAG[email protected]
MATRIX[email protected]
UKRORGSYN-BB[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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