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CAS No.: | 38228-99-8 |
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Name: | N,N'-DIBENZYLPHTHALAMIDE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C22H20N2O2 |
Molecular Weight: | 344.413 |
Synonyms: | 1,2-Benzenedicarboxamide,N,N'-bis(phenylmethyl)- (9CI);Phthalamide, N,N'-dibenzyl- (6CI,7CI);N,N'-Dibenzylphthalamide;NSC 25019; |
Density: | 1.181g/cm3 |
Melting Point: | 154-156 °C(lit.) |
Boiling Point: | 634 °C at 760 mmHg |
Flash Point: | 224.3 °C |
PSA: | 58.20000 |
LogP: | 4.32840 |
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The 1,2-Benzenedicarboxamide,N1,N2-bis(phenylmethyl)-, with CAS registry number 38228-99-8, has the systematic name of N,N'-dibenzylbenzene-1,2-dicarboxamide. And the chemical formula of this chemical is C22H20N2O2. Its molecular weight is 344.4064.
Physical properties of 1,2-Benzenedicarboxamide,N1,N2-bis(phenylmethyl)-: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 139.58; (6)ACD/BCF (pH 7.4): 139.58; (7)ACD/KOC (pH 5.5): 1193.67; (8)ACD/KOC (pH 7.4): 1193.67; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 102.47 cm3; (15)Molar Volume: 291.5 cm3; (16)Polarizability: 40.62×10-24cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.181 g/cm
3; (19)Flash Point: 224.3 °C; (20)Enthalpy of Vaporization: 93.72 kJ/mol; (21)Boiling Point: 634 °C at 760 mmHg; (22)Vapour Pressure: 5.56E-16 mmHg at 25°C.Preparation: this chemical can be prepared by phthalic acid and benzylamine. This reaction will need solvent xylene. The reaction time is 7.5 hour(s). The yield is about 98%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCc1ccccc1)c3ccccc3C(=O)NCc2ccccc2
(2)InChI: InChI=1/C22H20N2O2/c25-21(23-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(26)24-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,25)(H,24,26)
(3)InChIKey: STGVIVVZSAQRGJ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C22H20N2O2/c25-21(23-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(26)24-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,23,25)(H,24,26)
(5)Std. InChIKey: STGVIVVZSAQRGJ-UHFFFAOYSA-N