beta-ALANINE, N-(p-CHLOROBENZOYL)-N-2,6-XYLYL-
3-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)propanoic acid
| Molecular Formula | C18H18ClNO3 |
|---|---|
| Molecular Weight | 331.8 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 57.6 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.09753 |
| Heavy Atoms | 23 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 30544-73-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N(CCC(=O)O)C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | QNHUFJPPCSTYBX-UHFFFAOYSA-N |
📖 Product Overview
beta-ALANINE, N-(p-CHLOROBENZOYL)-N-2,6-XYLYL- (CAS: 30544-73-1) is a chemical compound with molecular formula C18H18ClNO3 and molecular weight 331.8 g/mol. Its IUPAC systematic name is 3-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)propanoic acid.
QNHUFJPPCSTYBX-UHFFFAOYSA-N.
SMILES: CC1=C(C(=CC=C1)C)N(CCC(=O)O)C(=O)C2=CC=C(C=C2)Cl.
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