Cas no 33100-16-2 (Benzeneethanamine, N-methyl-2-nitro-)
33100-16-2 structure
Product Name:Benzeneethanamine, N-methyl-2-nitro-
CAS No:33100-16-2
MF:C9H12N2O2
MW:180.203782081604
CID:2822408
PubChem ID:21925651
Update Time:2025-04-21
Benzeneethanamine, N-methyl-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- N-methyl-N-(2-(2-nitrophenyl)ethyl)amine
- AKOS011839789
- Benzeneethanamine, N-methyl-2-nitro-
- 33100-16-2
- DTXSID90620231
- N-Methyl-2-(2-nitrophenyl)ethan-1-amine
- JKFQTSXUKNGFQF-UHFFFAOYSA-N
- SCHEMBL5108066
-
- Inchi： 1S/C9H12N2O2/c1-10-7-6-8-4-2-3-5-9(8)11(12)13/h2-5,10H,6-7H2,1H3
- InChI Key： JKFQTSXUKNGFQF-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC=CC=1CCNC)=O
Computed Properties
- Exact Mass: 180.089877630Da
- Monoisotopic Mass: 180.089877630Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 167
- 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: 1.8
- Topological Polar Surface Area: 57.9?2
Benzeneethanamine, N-methyl-2-nitro- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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