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CAS No.: | 7383-98-4 |
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Name: | N-(1-methylpropyl)-N'-phenylbenzene-1,2-diamine |
Molecular Structure: | |
Formula: | C16H20N2 |
Molecular Weight: | 240.348 |
Synonyms: | 1,2-Benzenediamine,N-(1-methylpropyl)-N'-phenyl- (9CI);o-Phenylenediamine, N-sec-butyl-N'-phenyl-(6CI,7CI,8CI);N-Phenyl-N'sec-butyl-o-phenylenediamine;N-(butan-2-yl)-N'-phenylbenzene-1,2-diamine;N-(1-methylpropyl)-N'-phenylbenzene-1,2-diamine; |
EINECS: | 230-959-2 |
Density: | 1.068 g/cm3 |
Boiling Point: | 373.8 °C at 760 mmHg |
Flash Point: | 220.6 °C |
PSA: | 24.06000 |
LogP: | 4.78660 |
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The 1,2-Benzenediamine,N1-(1-methylpropyl)-N2-phenyl-, with the CAS registry number 7383-98-4 and EINECS registry number 230-959-2, has the systematic name of N-(butan-2-yl)-N'-phenylbenzene-1,2-diamine. And the molecular formula of the chemical is C16H20N2.
The characteristics of 1,2-Benzenediamine,N1-(1-methylpropyl)-N2-phenyl- are as followings: (1)ACD/LogP: 4.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 4.57; (6)ACD/BCF (pH 7.4): 140.76; (7)ACD/KOC (pH 5.5): 24; (8)ACD/KOC (pH 7.4): 738.77; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 79.09 cm3; (15)Molar Volume: 224.8 cm3; (16)Polarizability: 31.35×10-24cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.068 g/cm3; (19)Flash Point: 220.6 °C; (20)Enthalpy of Vaporization: 62.11 kJ/mol; (21)Boiling Point: 373.8 °C at 760 mmHg; (22)Vapour Pressure: 8.74E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N(c2ccccc2Nc1ccccc1)C(CC)C
(2)InChI: InChI=1/C16H20N2/c1-3-13(2)17-15-11-7-8-12-16(15)18-14-9-5-4-6-10-14/h4-13,17-18H,3H2,1-2H3
(3)InChIKey: OWHWHWGFYMLSTN-UHFFFAOYAX