Cas no 139680-47-0 (Benzamide, N,N-bis(2-methylpropyl)-4-nitro-)
139680-47-0 structure
Product Name:Benzamide, N,N-bis(2-methylpropyl)-4-nitro-
CAS No:139680-47-0
MF:C15H22N2O3
MW:278.346784114838
CID:1278125
PubChem ID:347941
Update Time:2025-04-20
Benzamide, N,N-bis(2-methylpropyl)-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, N,N-bis(2-methylpropyl)-4-nitro-
- N,N-bis(2-methylpropyl)-4-nitrobenzamide
- NSC406871
- STK159438
- NSC-406871
- 139680-47-0
- N,N-Diisobutyl-4-nitrobenzamide
- AKOS003253513
- Z68113242
-
- Inchi： 1S/C15H22N2O3/c1-11(2)9-16(10-12(3)4)15(18)13-5-7-14(8-6-13)17(19)20/h5-8,11-12H,9-10H2,1-4H3
- InChI Key： IFYJJQOERYQZBL-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)[N+](=O)[O-])N(CC(C)C)CC(C)C
Computed Properties
- Exact Mass: 278.16316
- Monoisotopic Mass: 278.163
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 319
- 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: 3.9
- Topological Polar Surface Area: 66.1?2
Experimental Properties
- PSA: 63.45
Benzamide, N,N-bis(2-methylpropyl)-4-nitro- Related Literature
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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