Cas no 103796-01-6 (2-Nitro-4-propylaniline)
2-Nitro-4-propylaniline structure
Product Name:2-Nitro-4-propylaniline
CAS No:103796-01-6
MF:C9H12N2O2
MW:180.203782081604
CID:2113007
PubChem ID:2737085
Update Time:2024-11-06
2-Nitro-4-propylaniline Chemical and Physical Properties
Names and Identifiers
-
- 2-nitro-4-propylBenzenamine
- 2-nitro-4-propylaniline
- Benzenamine, 2-nitro-4-propyl-
- G75274
- SCHEMBL5952783
- DA-25767
- MFCD00833401
- 103796-01-6
- 2-Nitro-4-propylaniline
-
- Inchi： 1S/C9H12N2O2/c1-2-3-7-4-5-8(10)9(6-7)11(12)13/h4-6H,2-3,10H2,1H3
- InChI Key： UACSJWZBISFLIW-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=C(C=CC(=C1)CCC)N)=O
Computed Properties
- Exact Mass: 180.089877630g/mol
- Monoisotopic Mass: 180.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 179
- 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
- Topological Polar Surface Area: 71.8
- XLogP3: 3
2-Nitro-4-propylaniline Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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