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6929-40-4

6929-40-4 Structure

6929-40-4 Structure
IdentificationBack Directory
[Name]

B-PABA
[CAS]

6929-40-4
[Synonyms]

B-PABA
Biot-pab
N-(+)-Biotinyl-4-AMinobnzoic Acid
N-(+)-BIOTINYL-4-AMINOBENZOIC ACID
4-[5-(2-oxohexahydrothieno[3,4-d]imidazol-6-yl)pentanoylamino]benzoic acid
4-(5-((4S)-2-oxohexahydro-1H-thieno[3,4-d]iMidazol-4-yl)pentanaMido)benzoic acid
4-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)benzoic acid
Benzoic acid, 4-((5-(hexahydro-2-oxo-1H-thieno(3,4-D)imidazol-4-yl)-1-oxopentyl)amino)-, ion(1-)-
Benzoic acid, 4-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-
[Molecular Formula]

C17H21N3O4S
[MDL Number]

MFCD00077915
[MOL File]

6929-40-4.mol
[Molecular Weight]

363.43
Chemical PropertiesBack Directory
[Melting point ]

295-297 °C
[Boiling point ]

750.5±55.0 °C(Predicted)
[density ]

1.338±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

powder
[pka]

4.32±0.10(Predicted)
[color ]

white to light yellow
[optical activity]

[α]20/D +55±3°, c = 0.5% in 0.1 M NaOH
[BRN ]

50100
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[F ]

10
Hazard InformationBack Directory
[Biological Activity]

Biotinyl-4-aminobenzoic acid (B-PABA) is used as a substrate in biotinidase assays.
[Purification Methods]

Dissolve the acid in NaHCO3 solution, cool and precipitate it by adding N HCl. Collect the solid, dry it at 100o and recrystallise it from MeOH. Note that it is hydrolysed by aqueous 3M, 1M and 0.2M HCl at 120o
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