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CAS No.: | 675126-26-8 |
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Name: | 2-Amino-4-methoxy-5-(3-morpholinopropoxy)benzonitrile |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C15H19N3O5 |
Molecular Weight: | 321.333 |
Synonyms: | 4-Methoxy-5-(3-morpholinopropoxy)-2-nitrobenzonitrile; |
EINECS: | 1806241-263-5 |
Density: | 1.294 g/cm3 |
Melting Point: | 127℃ |
Boiling Point: | 522.302 °C at 760 mmHg |
Flash Point: | 269.679 °C |
PSA: | 100.54000 |
LogP: | 2.03728 |
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The Benzonitrile, 4-methoxy-5-[3-(4-morpholinyl)propoxy]-2-nitro- has the CAS registry number 675126-26-8. This chemical's molecular formula is C15H19N3O5 and molecular weight is 321.3285. What's more, its systematic name is 4-Methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrobenzonitrile.
Physical properties about Benzonitrile, 4-methoxy-5-[3-(4-morpholinyl)propoxy]-2-nitro- are: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 100.54 Å2; (7)Index of Refraction: 1.57; (8)Molar Refractivity: 81.453 cm3; (9)Molar Volume: 248.235 cm3; (10)Polarizability: 32.291×10-24 cm3; (11)Surface Tension: 57.97 dyne/cm; (12)Density: 1.294 g/cm3; (13)Flash Point: 269.679 °C; (14)Enthalpy of Vaporization: 79.571 kJ/mol; (15)Boiling Point: 522.302 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2c(C#N)cc(OCCCN1CCOCC1)c(OC)c2
(2) InChI: InChI=1/C15H19N3O5/c1-21-14-10-13(18(19)20)12(11-16)9-15(14)23-6-2-3-17-4-7-22-8-5-17/h9-10H,2-8H2,1H3
(3) InChIKey: FYCDMKYKGPHRFW-UHFFFAOYAH