2-[2-[Hydroxymethyl-[2-(7-Methyloctanoylamino)Ethyl]Amino]Ethylcarbamoyl]Benzoic Acid
[CAS# 100063-56-7]

Identification

• Name: 2-[2-[Hydroxymethyl-[2-(7-Methyloctanoylamino)Ethyl]Amino]Ethylcarbamoyl]Benzoic Acid
• Synonyms: 2-[[2-[Hydroxymethyl-[2-[(7-Methyl-1-Oxooctyl)Amino]Ethyl]Amino]Ethylamino]-Oxomethyl]Benzoic Acid; 2-[2-[2-(7-Methyloctanoylamino)Ethyl-Methylol-Amino]Ethylcarbamoyl]Benzoic Acid
• Molecular Formula: C₂₂H₃₅N₃O₅
• Molecular Weight: 421.54
• CAS Registry Number: 100063-56-7
• EINECS: 309-120-0
• SMILES: C1=CC=CC(=C1C(=O)NCCN(CO)CCNC(=O)CCCCCC(C)C)C(=O)O
• InChI: 1S/C22H35N3O5/c1-17(2)8-4-3-5-11-20(27)23-12-14-25(16-26)15-13-24-21(28)18-9-6-7-10-19(18)22(29)30/h6-7,9-10,17,26H,3-5,8,11-16H2,1-2H3,(H,23,27)(H,24,28)(H,29,30)
• InChIKey: KXWBMYVIQBCGJO-UHFFFAOYSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 676.632°C at 760 mmHg (Cal.)
• Flash point: 363.014°C (Cal.)