Trimethylolpropane tris(3-aziridinylpropanoate) supplier

Name
2-((3-Aziridin-1-ylpropionyl)methyl)-2-ethylpropane-1,3-diyl bis(aziridine-1-propionate)
EINECS 257-765-0
CAS No. 52234-82-9
Density 1.224 g/cm³
Solubility
Melting Point
Formula C₂₁H₃₅N₃O₆
Boiling Point 512.6 °C at 760 mmHg
Molecular Weight 425.52
Flash Point 263.8 °C
Transport Information 1993
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Aziridinepropanoicacid, 2-[[3-(1-aziridinyl)-1-oxopropoxy]methyl]-2-ethyl-1,3-propanediyl ester(9CI);2,2-Bis(hydroxymethyl)butanol tris[3-(1-aziridinyl)propionate];2,2-Bishydroxybutyl tris[3-(1-aziridinyl)propionate];Chemitite PZ 32;Chemitite PZ 33;PZ 33;TAZ (ester);TAZM;Trimethylolpropane tris(3-aziridinopropionate);Trimethylolpropane tris(b-aziridinylpropionate);Trimethylolpropane tris(b-ethyleniminopropionate);Trimethylolpropane tris(w-aziridinylpropionate);Trimethylolpropanetris[3-(1-aziridinyl)propionate];Trimethylolpropanetris(b-aziridinopropionate);Xama 2;
PSA 87.93000
LogP -0.05680

Trimethylolpropane tris(3-aziridinylpropanoate) Specification

The CAS register number of Trimethylolpropane tris(3-aziridinylpropanoate) is 52234-82-9. It also can be called as 1-Aziridinepropanoic acid 2-((3-(1-aziridinyl)-1-oxopropoxy)methyl)-2-ethyl-1,3-propanediyl ester and the IUPAC name about this chemical is 2,2-bis[3-(aziridin-1-yl)propanoyloxymethyl]butyl 3-(aziridin-1-yl)propanoate. The molecular formula about this chemical is C₂₁H₃₅N₃O₆ and the molecular weight is 425.52.

Physical properties about Trimethylolpropane tris(3-aziridinylpropanoate) are: (1)ACD/LogP: 0.11; (2)ACD/LogD (pH 5.5): -3.66; (3)ACD/LogD (pH 7.4): -0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 14.85; (8)#H bond acceptors: 9; (9)#Freely Rotating Bonds: 19; (10)Polar Surface Area: 87.93Å²; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 109.23 cm³; (13)Molar Volume: 347.6 cm³; (14)Polarizability: 43.3x10^-24cm³; (15)Surface Tension: 52.2 dyne/cm; (16)Enthalpy of Vaporization: 78.38 kJ/mol; (17)Boiling Point: 512.6 °C at 760 mmHg; (18)Vapour Pressure: 1.28E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(CC)(COC(=O)CCN1CC1)COC(=O)CCN2CC2)CCN3CC3
(2)InChI: InChI=1/C21H35N3O6/c1-2-21(15-28-18(25)3-6-22-9-10-22,16-29-19(26)4-7-23-11-12-23)17-30-20(27)5-8-24-13-14-24/h2-17H2,1H3
(3)InChIKey: KDRBAEZRIDZKRP-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C21H35N3O6/c1-2-21(15-28-18(25)3-6-22-9-10-22,16-29-19(26)4-7-23-11-12-23)17-30-20(27)5-8-24-13-14-24/h2-17H2,1H3
(5)Std. InChIKey: KDRBAEZRIDZKRP-UHFFFAOYSA-N

Product Name

2-((3-Aziridin-1-ylpropionyl)methyl)-2-ethylpropane-1,3-diyl bis(aziridine-1-propionate)

Trimethylolpropane tris(3-aziridinylpropanoate) Specification

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