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67942-22-7

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Basic Information
CAS No.: 67942-22-7
Name: N,N''-DIPHENETHYL-MALONAMIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 67942-22-7 (N,N''-DIPHENETHYL-MALONAMIDE)
Formula: C19H22N2O2
Molecular Weight: 310.396
Synonyms: Propanediamide, N,N'-bis(2-phenylethyl)- (9CI);Malonamide,N,N'-diphenethyl- (6CI);
Density: 1.119 g/cm3
Boiling Point: 607.4 °C at 760 mmHg
Flash Point: 222.3 °C
PSA: 65.18000
LogP: 3.77490
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Specification

The CAS registry number of Propanediamide,N1,N3-bis(2-phenylethyl)- is 67942-22-7. This chemical is also named as N,N'-Diphenethyl-malonamide. In addition, its molecular formula is C19H22N2O2 and molecular weight is 310.395. Its systematic name and IUPAC name are the same which is called N,N'-bis(2-phenylethyl)propanediamide.

Physical properties about Propanediamide,N1,N3-bis(2-phenylethyl)- are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 26.19; (6)ACD/BCF (pH 7.4): 25.1; (7)ACD/KOC (pH 5.5): 360.3; (8)ACD/KOC (pH 7.4): 345.24; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 90.7 cm3; (14)Molar Volume: 277.3 cm3; (15)Surface Tension: 45.6 dyne/cm; (16)Density: 1.119 g/cm3; (17)Flash Point: 222.3 °C; (18)Enthalpy of Vaporization: 90.27 kJ/mol; (19)Boiling Point: 607.4 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCc1ccccc1)CC(=O)NCCc2ccccc2
(2)InChI: InChI=1/C19H22N2O2/c22-18(20-13-11-16-7-3-1-4-8-16)15-19(23)21-14-12-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,22)(H,21,23)
(3)InChIKey: RUHYVHRJAHLOLR-UHFFFAOYAN