1H-Pyrrole-1-propanamide,N-[(4-azido-2,3,5,6-tetrafluorophenyl)methyl]-2,5-dihydro-2,5-dioxo- supplier

Name
TFPAM-3
EINECS
CAS No. 139428-48-1
Density
Solubility
Melting Point
Formula C₁₄H₉F₄N₅O₃
Boiling Point
Molecular Weight 371.25
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-[(4-Azido-2, 3, 5, 6-tetrafluorophenyl)methyl]-3-(2, 5-dioxopyrrol-1-yl)propanamide;
PSA 116.23000
LogP 1.89766

1H-Pyrrole-1-propanamide,N-[(4-azido-2,3,5,6-tetrafluorophenyl)methyl]-2,5-dihydro-2,5-dioxo- Specification

The 1H-Pyrrole-1-propanamide, N-[(4-azido-2, 3, 5, 6-tetrafluorophenyl)methyl]-2, 5-dihydro-2, 5-dioxo-, with the CAS registry number 139428-48-1, is also known as Tfpam-3. This chemical's molecular formula is C₁₄H₉F₄N₅O₃ and molecular weight is 371.25. What's more, its IUPAC name is N-[(4-Azido-2, 3, 5, 6-tetrafluorophenyl)methyl]-3-(2, 5-dioxopyrrol-1-yl)propanamide. Besides, it is a heterobifunctional photo-cross-linker.

Physical properties about 1H-Pyrrole-1-propanamide, N-[(4-azido-2, 3, 5, 6-tetrafluorophenyl)methyl]-2, 5-dihydro-2, 5-dioxo- are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.68; (6)ACD/BCF (pH 7.4): 6.68; (7)ACD/KOC (pH 5.5): 135.49; (8)ACD/KOC (pH 7.4): 135.49; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 70.05 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCc1c(F)c(F)c(\N=[N+]=[N-])c(F)c1F)CCN2C(=O)\C=C/C2=O
(2) InChI: InChI=1/C14H9F4N5O3/c15-10-6(11(16)13(18)14(12(10)17)21-22-19)5-20-7(24)3-4-23-8(25)1-2-9(23)26/h1-2H,3-5H2,(H,20,24)
(3) InChIKey: QHTHQICZOPOYCT-UHFFFAOYAB

Product Name

TFPAM-3

1H-Pyrrole-1-propanamide,N-[(4-azido-2,3,5,6-tetrafluorophenyl)methyl]-2,5-dihydro-2,5-dioxo- Specification

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