Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
N-[Tris(hydroxymethyl)methyl]acrylamide |
EINECS | 237-645-4 |
CAS No. | 13880-05-2 | Density | 1.272 g/cm3 |
PSA | 89.79000 | LogP | -1.60480 |
Solubility | Soluble in water. | Melting Point |
136-141 °C(lit.) |
Formula | C7H13NO4 | Boiling Point | 510.8 °C at 760 mmHg |
Molecular Weight | 175.185 | Flash Point | 262.7 °C |
Transport Information | N/A | Appearance | White crystals or crystalline powder |
Safety | 26-37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Acrylamide,N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]- (8CI);2-Acrylamido-2-(hydroxymethyl)-1,3-propanediol;N-[Tris(hydroxymethyl)methyl]acrylamide;Tris(hydroxymethyl)acrylamidomethane; |
Article Data | 11 |
The N-[Tris(hydroxymethyl)methyl]acrylamide with the CAS number 13880-05-2 is also called 2-Propenamide,N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-. Both the systematic name and IUPAC name are N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide. Its molecular formula is C7H13NO4. The product category is Naphthyridine,Quinoline. This chemical is white crystals or crystalline powder.
The properties of the chemical are: (1)ACD/LogP: -1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -1.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.42; (8)ACD/KOC (pH 7.4): 4.42; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 48 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 42.39 cm3; (15)Molar Volume: 137.6 cm3; (16)Polarizability: 16.8×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Enthalpy of Vaporization: 89.97 kJ/mol; (19)Vapour Pressure: 1.43×10-12 mmHg at 25°C.
Uses: This chemical can react with benzaldehyde to prepare N-(5-hydroxymethyl-2-phenyl-[1,3]dioxan-5-yl)-acrylamide. This reaction needs reagent TsOH and solvent acetonitrile at temperature of 20°C. The yield is 87%.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(CO)(CO)CO)\C=C
(2)InChI: InChI=1/C7H13NO4/c1-2-6(12)8-7(3-9,4-10)5-11/h2,9-11H,1,3-5H2,(H,8,12)
(3)InChIKey: MVBJSQCJPSRKSW-UHFFFAOYAN