Cas no 597545-61-4 ( )
structure
Product Name:
CAS No:597545-61-4
MF:C12H17N3O2
MW:235.282282590866
CID:950628
PubChem ID:2947946
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, N-ethyl-2-nitro-5-(1-pyrrolidinyl)- (9CI)
- N-ethyl-2-nitro-5-pyrrolidin-1-ylaniline
- AC1MH8I3
- AG-G-13230
- CTK5B0453
- HMS2516L22
- MolPort-001-581-030
- STK155523
- SMR000199196
- N-ethyl-2-nitro-5-(1-pyrrolidinyl)aniline
- N-ethyl-2-nitro-5-(pyrrolidin-1-yl)aniline
- SR-01000270123
- 597545-61-4
- MLS000579955
- DTXSID20387946
- AKOS000423356
- SR-01000270123-1
- CHEMBL1479835
-
-
- Inchi： 1S/C12H17N3O2/c1-2-13-11-9-10(14-7-3-4-8-14)5-6-12(11)15(16)17/h5-6,9,13H,2-4,7-8H2,1H3
- InChI Key： PSHCYXUUYNZLLE-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1NCC)N1CCCC1)=O
Computed Properties
- Exact Mass: 235.132076794g/mol
- Monoisotopic Mass: 235.132076794g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 261
- 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: 3.3
- Topological Polar Surface Area: 61.1?2
Related Literature
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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