N-(+)-Biotinyl-4-aminobenzoic acid
[CAS# 6929-40-4]

Identification

• Name: N-(+)-Biotinyl-4-aminobenzoic acid
• Synonyms: 4-[[5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-1-Oxopentyl]Amino]Benzoic Acid; 4-[5-[(3Ar,6S,6As)-2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Pentanoylamino]Benzoic Acid; B-Paba
• Molecular Formula: C₁₇H₂₁N₃O₄S
• Molecular Weight: 363.43
• CAS Registry Number: 6929-40-4 (3672-04-6)
• SMILES: [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)NC3=CC=C(C=C3)C(=O)O
• InChI: 1S/C17H21N3O4S/c21-14(18-11-7-5-10(6-8-11)16(22)23)4-2-1-3-13-15-12(9-25-13)19-17(24)20-15/h5-8,12-13,15H,1-4,9H2,(H,18,21)(H,22,23)(H2,19,20,24)/t12-,13-,15-/m0/s1
• InChIKey: PVMDAMXGKHIMSQ-YDHLFZDLSA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Boiling point: 750.499°C at 760 mmHg (Cal.)
• Flash point: 407.687°C (Cal.)