Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate
Basic information
- CAS
51934-66-8- Standard SMILES
COC(=O)CCN(C(=O)c1c(I)cc(I)c(N)c1I)c1ccccc1- InChIKey
FXFJGDGAESIFGG-UHFFFAOYSA-N- Molecular formula
- C17H15I3N2O3
- Average molar mass
- 676.03 g/mol
- Monoisotopic mass
- 675.8217
Names & identifiers
- Preferred name
- Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate
- IUPAC
- methyl 3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate
- English name
- methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninate
- Molecular formula
- C17H15I3N2O3
- Molecular weight
- 676.03
Names & synonyms
51934-66-8Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-beta-alaninateEINECS 257-525-5SCHEMBL11692684DTXSID40966257NS00056069methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-β-alaninateN-(3-Amino-2,4,6-triiodobenzoyl)-N-phenyl-β-alanine methyl esterβ-Alanine, N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-, methyl ester
Database identifiers
- CAS
51934-66-8- PubChem CID
- 104018
- DTXSID
DTXSID40966257- EC Number
- 257-525-5
- Nikkaji
- J294.950D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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