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1007-06-3

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Basic Information
CAS No.: 1007-06-3
Name: 5-(2-Cyanoethyl)hydantoin
Molecular Structure:
Molecular Structure of 1007-06-3 (5-(2-Cyanoethyl)hydantoin)
Formula: C6H7N3O2
Molecular Weight: 153.14
Synonyms: 4-Imidazolidinepropionitrile,2,5-dioxo- (7CI,8CI);5-(2-Cyanoethyl)hydantoin;5-(b-Cyanoethyl)hydantoin;
Density: 1.263 g/cm3
Melting Point: 109-110 °C
PSA: 81.99000
LogP: 0.15578
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Specification

The 5-(2-Cyanoethyl)hydantoin with the CAS number 1007-06-3 is also called 4-Imidazolidinepropanenitrile,2,5-dioxo-. The systematic name is 3-(2,5-dioxoimidazolidin-4-yl)propanenitrile. Its molecular formula is C6H7N3O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 5-(2-Cyanoethyl)hydantoin are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.49; (5)ACD/KOC (pH 7.4): 2.44; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 81.99 Å2; (10)Index of Refraction: 1.483; (11)Molar Refractivity: 34.66 cm3; (12)Molar Volume: 121.2 cm3; (13)Polarizability: 13.74×10-24cm3; (14)Surface Tension: 45.4 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(CCC#N)C(=O)N1
(2)InChI: InChI=1/C6H7N3O2/c7-3-1-2-4-5(10)9-6(11)8-4/h4H,1-2H2,(H2,8,9,10,11)
(3)InChIKey: MMDZBDLRGFUSSP-UHFFFAOYAR