N-[3-(Acetylamino)Phenyl]-N-(2-Carboxyethyl)-beta-Alanine
[CAS# 71519-99-8]

Identification

• Name: N-[3-(Acetylamino)Phenyl]-N-(2-Carboxyethyl)-beta-Alanine
• Synonyms: 3-[(3-Acetamidophenyl)-(2-Carboxyethyl)Amino]Propionic Acid; 3-(Acetylamino)-N,N-Bis(2-Carboxyethyl)Aniline; Beta-Alanine, N-(3-(Acetylamino)Phenyl)-N-(2-Carboxyethyl)-
• Molecular Formula: C₁₄H₁₈N₂O₅
• Molecular Weight: 294.31
• CAS Registry Number: 71519-99-8
• SMILES: C1=CC(=CC(=C1)NC(=O)C)N(CCC(=O)O)CCC(=O)O
• InChI: 1S/C14H18N2O5/c1-10(17)15-11-3-2-4-12(9-11)16(7-5-13(18)19)8-6-14(20)21/h2-4,9H,5-8H2,1H3,(H,15,17)(H,18,19)(H,20,21)
• InChIKey: AABCQOXPDASHKV-UHFFFAOYSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 632.347°C at 760 mmHg (Cal.)
• Flash point: 336.232°C (Cal.)