(2S)-N-(5-Aminopentyl)-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]Butanediamide
[CAS# 112111-38-3]

Identification

• Name: (2S)-N-(5-Aminopentyl)-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]Butanediamide
• Synonyms: (2S)-N-(5-Aminopentyl)-2-[[2-(2,4-Dihydroxyphenyl)-1-Oxoethyl]Amino]Butanediamide; (2S)-N-(5-Aminopentyl)-2-[[2-(2,4-Dihydroxyphenyl)Acetyl]Amino]Succinamide; (2S)-N-(5-Aminopentyl)-2-[2-(2,4-Dihydroxyphenyl)Ethanoylamino]Butanediamide
• Molecular Formula: C₁₇H₂₆N₄O₅
• Molecular Weight: 366.42
• CAS Registry Number: 112111-38-3
• SMILES: [C@@H](NC(=O)CC1=CC=C(O)C=C1O)(C(=O)NCCCCCN)CC(=O)N
• InChI: 1S/C17H26N4O5/c18-6-2-1-3-7-20-17(26)13(10-15(19)24)21-16(25)8-11-4-5-12(22)9-14(11)23/h4-5,9,13,22-23H,1-3,6-8,10,18H2,(H2,19,24)(H,20,26)(H,21,25)/t13-/m0/s1
• InChIKey: XAMAJKAMABMMPO-ZDUSSCGKSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Boiling point: 821.06°C at 760 mmHg (Cal.)
• Flash point: 450.361°C (Cal.)