1,2-Isopropylidene glyceryl 2-cyanoacrylate supplier

Name
2-Cyano-2-propenoic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
EINECS
CAS No. 66470-69-7
Density 1.123g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO₄
Boiling Point 339 °C at 760 mmHg
Molecular Weight 211.21
Flash Point 147.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propenoic acid, 2-cyano-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester;
PSA 68.55000
LogP 0.76088

1,2-Isopropylidene glyceryl 2-cyanoacrylate Specification

The 1,2-Isopropylidene glyceryl 2-cyanoacrylate, with cas registry number 66470-69-7, has the systematic name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2-cyanoprop-2-enoate. And its IUPAC name is the same. Besides this, it is also called 2-Propenoic acid, 2-cyano-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.77; (8)ACD/KOC (pH 7.4): 29.77; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.55 Å²; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 50.84 cm³; (15)Molar Volume: 188 cm³; (16)Polarizability: 20.15×10^-24cm³; (17)Surface Tension: 40.3 dyne/cm; (18)Enthalpy of Vaporization: 58.24 kJ/mol; (19)Vapour Pressure: 9.47E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C/C(=C)C(=O)OCC1OC(OC1)(C)C
(2)InChI: InChI=1/C10H13NO4/c1-7(4-11)9(12)13-5-8-6-14-10(2,3)15-8/h8H,1,5-6H2,2-3H3
(3)InChIKey: ANMCCJGHIHPLEL-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H13NO4/c1-7(4-11)9(12)13-5-8-6-14-10(2,3)15-8/h8H,1,5-6H2,2-3H3
(5)Std. InChIKey: ANMCCJGHIHPLEL-UHFFFAOYSA-N

Product Name

2-Cyano-2-propenoic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester

1,2-Isopropylidene glyceryl 2-cyanoacrylate Specification

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