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CAS No.: | 468741-20-0 |
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Name: | 2-METHYL-4-MORPHOLINO-6-NITROANILINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C11H15N3O3 |
Molecular Weight: | 237.258 |
Synonyms: | [2-Methyl-4-(morpholin-4-yl)-6-nitrophenyl]amine;2-Methyl-4-(morpholin-4-yl)-6-nitroaniline; |
Density: | 1.296 g/cm3 |
Boiling Point: | 477.854 °C at 760 mmHg |
Flash Point: | 242.798 °C |
PSA: | 84.31000 |
LogP: | 2.49140 |
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The Benzenamine,2-methyl-4-(4-morpholinyl)-6-nitro-, with the CAS registry number 468741-20-0, is also known as [2-Methyl-4-(morpholin-4-yl)-6-nitrophenyl]amine. This chemical's molecular formula is C11H15N3O3 and molecular weight is 237.26. What's more, its systematic name is 2-methyl-4-(morpholin-4-yl)-6-nitroaniline.
Physical properties of Benzenamine,2-methyl-4-(4-morpholinyl)-6-nitro- are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 22; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 310; (8)ACD/KOC (pH 7.4): 335; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 84.31 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 63.669 cm3; (15)Molar Volume: 183.141 cm3; (16)Polarizability: 25.241×10-24cm3; (17)Surface Tension: 57.514 dyne/cm; (18)Density: 1.296 g/cm3; (19)Flash Point: 242.798 °C; (20)Enthalpy of Vaporization: 74.185 kJ/mol; (21)Boiling Point: 477.854 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc(N1CCOCC1)cc(c2N)C
(2)InChI: InChI=1S/C11H15N3O3/c1-8-6-9(13-2-4-17-5-3-13)7-10(11(8)12)14(15)16/h6-7H,2-5,12H2,1H3
(3)InChIKey: BQZOMWPTJWWTMQ-UHFFFAOYSA-N