(E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide

Catalog No: FT-0700696

CAS No: 29554-26-5

Chemical Name: (E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
Molecular Formula: C13H18N2O3
Molecular Weight: 250.29
InChI Key: KTZNZCYTXQYEHT-GQCTYLIASA-N
InChI: InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

MF:	C13H18N2O3
Density:	1.233±0.06 g/cm3
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :29 ', '6. TPSA 956 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :281 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :1 ', '15. Covalently-Bonded Unit Count :1']
Exact_Mass:	250.131744
Vapor_Pressure:	0.0±1.5 mmHg at 25°C
Flash_Point:	283.7±30.1 °C
PSA:	99.07000
Molecular_Structure:	['1 . Molar refractive index 7159 ', '2 . Molar volume 2029 ', '3 . Parachor （902K）5614 ', '4 . Surface tension 586 ', '5 . Polarizability 2838']
LogP:	0.41
Water_Solubility:	Slightly soluble (6.3 g/L) (25 ºC)
Bolling_Point:	545.5±50.0 °C at 760 mmHg
FW:	250.294
Refractive_Index:	1.623