2-[2-[Hydroxymethyl-[2-(Prop-2-Enoylamino)Ethyl]Amino]Ethylcarbamoyl]Benzoic Acid
[CAS# 100063-60-3]

Identification

• Name: 2-[2-[Hydroxymethyl-[2-(Prop-2-Enoylamino)Ethyl]Amino]Ethylcarbamoyl]Benzoic Acid
• Synonyms: 2-[[2-[Hydroxymethyl-[2-(1-Oxoprop-2-Enylamino)Ethyl]Amino]Ethylamino]-Oxomethyl]Benzoic Acid; 2-[2-(2-Acrylamidoethyl-Methylol-Amino)Ethylcarbamoyl]Benzoic Acid; 2-(((2-((Hydroxymethyl)(2-((1-Oxoallyl)Amino)Ethyl)Amino)Ethyl)Amino)Carbonyl)Benzoic Acid
• Molecular Formula: C₁₆H₂₁N₃O₅
• Molecular Weight: 335.36
• CAS Registry Number: 100063-60-3
• EINECS: 309-124-2
• SMILES: C1=CC=CC(=C1C(=O)NCCN(CO)CCNC(C=C)=O)C(=O)O
• InChI: 1S/C16H21N3O5/c1-2-14(21)17-7-9-19(11-20)10-8-18-15(22)12-5-3-4-6-13(12)16(23)24/h2-6,20H,1,7-11H2,(H,17,21)(H,18,22)(H,23,24)
• InChIKey: XOXLECXVXJHGCC-UHFFFAOYSA-N