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93893-82-4

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Basic Information
CAS No.: 93893-82-4
Name: 2-hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate
Molecular Structure:
Molecular Structure of 93893-82-4 (2-hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate)
Formula: C12H19N3O5
Molecular Weight: 285.2964
Synonyms: 2-hydroxyisopropyl 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonate;(Z)-4-Oxo-4-[[2-(2-oxo-1-imidazolidinyl)ethyl]amino]-2-butenoic acid 2-hydroxy-1-methylethyl ester
EINECS: 299-674-9
Density: 1.261 g/cm3
Boiling Point: 526.7 °C at 760 mmHg
Flash Point: 272.3 °C
PSA: 107.97000
LogP: -0.73440
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  • 2-HYDROXYISOPROPYL 4-OXO-4-[[2-(2-OXOIMIDAZOLIDIN-1-YL)ETHYL]AMINO]ISOCROTONATE

  • Casno:

    93893-82-4

    2-HYDROXYISOPROPYL 4-OXO-4-[[2-(2-OXOIMIDAZOLIDIN-1-YL)ETHYL]AMINO]ISOCROTONATE

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    2-HYDROXYISOPROPYL 4-OXO-4-[[2-(2-OXOIMIDAZOLIDIN-1-YL)ETHYL]AMINO]ISOCROTONATEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The CAS registry number of 2-Butenoicacid, 4-oxo-4-[[2-(2-oxo-1-imidazolidinyl)ethyl]amino]-,2-hydroxy-1-methylethyl ester, (Z)- (9CI) is 93893-82-4. Its EINECS registry number is 299-674-9. This chemical's molecular formula is C12H19N3O5 and molecular weight is 285.29636. Its IUPAC name is called (Z)-2-(2-hydroxypropan-2-yl)-4-oxo-4-[2-(2-oxoimidazolidin-1-yl) ethylamino]but-2-enoic acid.

Physical properties of 2-Butenoicacid, 4-oxo-4-[[2-(2-oxo-1-imidazolidinyl)ethyl]amino]-,2-hydroxy-1-methylethyl ester, (Z)- (9CI): (1)ACD/LogP: 0.38; (2)ACD/LogD (pH 5.5): 0.38; (3)ACD/LogD (pH 7.4): 0.38; (4)ACD/BCF (pH 5.5): 1.14; (5)ACD/BCF (pH 7.4): 1.15; (6)ACD/KOC (pH 5.5): 38.02; (7)ACD/KOC (pH 7.4): 38.3; (8)#H bond acceptors: 8; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.526; (12)Molar Refractivity: 69.43 cm3; (13)Molar Volume: 226.1 cm3; (14)Surface Tension: 49.1 dyne/cm; (15)Density: 1.261 g/cm3; (16)Flash Point: 272.3 °C; (17)Enthalpy of Vaporization: 92.16 kJ/mol; (18)Boiling Point: 526.7 °C at 760 mmHg; (19)Vapour Pressure: 2.71E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C(=CC(=O)NCCN1CCNC1=O)C(=O)O)O
(2)Isomeric SMILES: CC(C)(/C(=C/C(=O)NCCN1CCNC1=O)/C(=O)O)O
(3)InChI: InChI=1S/C12H19N3O5/c1-12(2,20)8(10(17)18)7-9(16)13-3-5-15-6-4-14-11(15)19/h7,20H,3-6H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)/b8-7+
(4)InChIKey: WPAVXQGYLOYPKV-BQYQJAHWSA-N