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| CAS No.: | 5729-16-8 |
|---|---|
| Name: | CHEMBRDG-BB 9071320 |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C14H16N2O |
| Molecular Weight: | 228.294 |
| Synonyms: | 1,2-Benzenediamine,N-[(4-methoxyphenyl)methyl]- (9CI);o-Phenylenediamine, N-(p-methoxybenzyl)-(6CI,7CI,8CI);N-(4-Methoxybenzyl)benzene-1,2-diamine; |
| Density: | 1.165g/cm3 |
| Boiling Point: | 397.7 °C at 760 mmHg |
| Flash Point: | 194.3 °C |
| PSA: | 47.28000 |
| LogP: | 3.54370 |
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- Total:4 Page 1 of 1 1
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Specification
The 1,2-Benzenediamine,N1-[(4-methoxyphenyl)methyl]-, with CAS registry number 5729-16-8, has the systematic name of N-(4-methoxybenzyl)benzene-1,2-diamine. Besides this, it is also called (2-Aminophenyl)(4-methoxybenzyl)amine. And the chemical formula of this chemical is C14H16N2O.
Physical properties of 1,2-Benzenediamine,N1-[(4-methoxyphenyl)methyl]-: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 15.71 Å2; (7)Index of Refraction: 1.647; (8)Molar Refractivity: 71.26 cm3; (9)Molar Volume: 195.8 cm3; (10)Polarizability: 28.25×10-24cm3; (11)Surface Tension: 49.9 dyne/cm; (12)Density: 1.165 g/cm3; (13)Flash Point: 194.3 °C; (14)Enthalpy of Vaporization: 64.82 kJ/mol; (15)Boiling Point: 397.7 °C at 760 mmHg; (16)Vapour Pressure: 1.56E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)CNc2ccccc2N)C
(2)InChI: InChI=1/C14H16N2O/c1-17-12-8-6-11(7-9-12)10-16-14-5-3-2-4-13(14)15/h2-9,16H,10,15H2,1H3
(3)InChIKey: WLHZVTMHNONISE-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C14H16N2O/c1-17-12-8-6-11(7-9-12)10-16-14-5-3-2-4-13(14)15/h2-9,16H,10,15H2,1H3
(5)Std. InChIKey: WLHZVTMHNONISE-UHFFFAOYSA-N