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| CAS No.: | 13880-05-2 |
|---|---|
| Name: | N-ACRYLOYLTRIS(HYDROXYMETHYL)AMINOMETHANE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C7H13NO4 |
| Molecular Weight: | 175.185 |
| 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; |
| EINECS: | 237-645-4 |
| Density: | 1.272 g/cm3 |
| Melting Point: | 136-141 °C(lit.) |
| Boiling Point: | 510.8 °C at 760 mmHg |
| Flash Point: | 262.7 °C |
| Solubility: | Soluble in water. |
| Appearance: | White crystals or crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 89.79000 |
| LogP: | -1.60480 |
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Specification
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