Cas no 58028-49-2 ( )
structure
Product Name:
CAS No:58028-49-2
MF:C14H21N3O3
MW:279.334843397141
CID:947945
PubChem ID:437252
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- N-[2-(diethylamino)ethyl]-N-methyl-4-nitrobenzamide
- N-(2-DIETHYLAMINOETHYL)-N-METHYL-4-NITRO-BENZAMIDE
- 58028-49-2
- DTXSID80331324
-
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- Inchi： 1S/C14H21N3O3/c1-4-16(5-2)11-10-15(3)14(18)12-6-8-13(9-7-12)17(19)20/h6-9H,4-5,10-11H2,1-3H3
- InChI Key： CIRGXOODNYARDT-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)[N+](=O)[O-])N(C)CCN(CC)CC
Computed Properties
- Exact Mass: 279.15843
- Monoisotopic Mass: 279.15829154g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 318
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 69.4?2
Experimental Properties
- PSA: 66.69
Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Divya Kamath,Daisuke Minakata Environ. Sci.: Water Res. Technol., 2018,4, 1231-1238
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