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85391-29-3

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Basic Information
CAS No.: 85391-29-3
Name: 1-tetradecylimidazolidine-2,4-dione
Molecular Structure:
Molecular Structure of 85391-29-3 (1-tetradecylimidazolidine-2,4-dione)
Formula: C17H32N2O2
Molecular Weight: 296.45
Synonyms: 1-Tetradecylimidazolidine-2,4-dione;1-Tetradecylimidazolidine-2,4-dione;
EINECS: 286-783-1
Density: 0.973 g/cm3
PSA: 52.90000
LogP: 4.45310
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Specification

The 2,4-Imidazolidinedione,1-tetradecyl- has the CAS registry number 85391-29-3. Its EINECS number is 286-781-0. This chemical's molecular formula is C17H32N2O2 and molecular weight is 296.45. What's more, its systematic name is 1-tetradecylimidazolidine-2,4-dione.

Physical properties of 2,4-Imidazolidinedione,1-tetradecyl- are: (1)ACD/LogP: 5.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.45; (4)ACD/LogD (pH 7.4): 5.45; (5)ACD/BCF (pH 5.5): 8184.85; (6)ACD/BCF (pH 7.4): 8081.08; (7)ACD/KOC (pH 5.5): 22004.1; (8)ACD/KOC (pH 7.4): 21725.12; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 85.93 cm3; (15)Molar Volume: 304.4 cm3; (16)Polarizability: 34.06×10-24cm3; (17)Surface Tension: 36.1 dyne/cm; (18)Density: 0.973 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCN1CC(=O)NC1=O (2)InChI: InChI=1S/C17H32N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(20)18-17
(19)21/h2-15H2,1H3,(H,18,20,21)
(3)InChIKey: AESJECFMHVOYGB-UHFFFAOYSA-N