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CAS No.: | 509094-02-4 |
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Name: | (4-(cyclohexylamino)-3-nitrophenyl)methanol |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C13H18N2O3 |
Molecular Weight: | 250.298 |
Synonyms: | 4-Cyclohexylamino-3-nitrobenzylalcohol;[4-(Cyclohexylamino)-3-nitrophenyl]methanol; |
Density: | 1.27 g/cm3 |
Boiling Point: | 452.7 °C at 760 mmHg |
Flash Point: | 227.6 °C |
PSA: | 78.08000 |
LogP: | 3.42790 |
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The Benzenemethanol,4-(cyclohexylamino)-3-nitro-, with the CAS registry number 509094-02-4, is also known as 4-Cyclohexylamino-3-nitrobenzylalcohol. This chemical's molecular formula is C13H18N2O3 and molecular weight is 250.30. What's more, its systematic name is [4-(cyclohexylamino)-3-nitro-phenyl]methanol.
Physical properties of Benzenemethanol,4-(cyclohexylamino)-3-nitro- are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 78.08 Å2; (9)Index of Refraction: 1.627; (10)Molar Refractivity: 69.89 cm3; (11)Molar Volume: 197 cm3; (12)Polarizability: 27.7×10-24cm3; (13)Surface Tension: 57.5 dyne/cm; (14)Density: 1.27 g/cm3; (15)Flash Point: 227.6 °C; (16)Enthalpy of Vaporization: 75.03 kJ/mol; (17)Boiling Point: 452.7 °C at 760 mmHg; (18)Vapour Pressure: 5.51E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1CO)[N+](=O)[O-])NC2CCCCC2
(2)InChI: InChI=1S/C13H18N2O3/c16-9-10-6-7-12(13(8-10)15(17)18)14-11-4-2-1-3-5-11/h6-8,11,14,16H,1-5,9H2
(3)InChIKey: DBXDPBYWCFZXOR-UHFFFAOYSA-N