Cas no 1093798-66-3 (N-methyl-2-(4-morpholinyl)-5-nitrobenzenemethanamine)
1093798-66-3 structure
Product Name:N-methyl-2-(4-morpholinyl)-5-nitrobenzenemethanamine
CAS No:1093798-66-3
MF:C12H17N3O3
MW:251.281682729721
CID:2110172
Update Time:2023-11-19
N-methyl-2-(4-morpholinyl)-5-nitrobenzenemethanamine Chemical and Physical Properties
Names and Identifiers
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- N-methyl-2-(4-morpholinyl)-5-nitroBenzenemethanamine
- VQWVKDTXWLMNNR-UHFFFAOYSA-N
- N-Methyl-1-(2-morpholino-5-nitrophenyl)methanamine
- CID 101043413
- Benzenemethanamine, N-methyl-2-(4-morpholinyl)-5-nitro-
- N-methyl-2-(4-morpholinyl)-5-nitrobenzenemethanamine
-
- Inchi： 1S/C12H17N3O3/c1-13-9-10-8-11(15(16)17)2-3-12(10)14-4-6-18-7-5-14/h2-3,8,13H,4-7,9H2,1H3
- InChI Key： VQWVKDTXWLMNNR-UHFFFAOYSA-N
- SMILES： O1CCN(C2C=CC(=CC=2CNC)[N+](=O)[O-])CC1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 276
- Topological Polar Surface Area: 70.3
Experimental Properties
- Density: 1.218±0.06 g/cm3(Predicted)
- Boiling Point: 438.4±45.0 °C(Predicted)
- pka: 8.80±0.10(Predicted)
N-methyl-2-(4-morpholinyl)-5-nitrobenzenemethanamine Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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