Cas no 20367-34-4 (2-nitro-4-propoxyaniline)
2-nitro-4-propoxyaniline structure
Product Name:2-nitro-4-propoxyaniline
CAS No:20367-34-4
MF:C9H12N2O3
MW:196.203182220459
CID:909648
PubChem ID:88512
Update Time:2025-04-19
2-nitro-4-propoxyaniline Chemical and Physical Properties
Names and Identifiers
-
- 2-nitro-4-propoxyaniline
- 2-nitro-4-propoxyBenzenamine
- EINECS 243-768-4
- 20367-34-4
- SCHEMBL1277976
- MFCD00130060
- DA-25768
- 2-nitro-4-propoxy-aniline
- AKOS024255470
- CS-0359346
- 2-nitro-4-propoxy-phenylamine
- AE-562/43459386
- VUMCVANUWQZNGD-UHFFFAOYSA-N
- NS00026604
- DTXSID00174295
-
- Inchi: 1S/C9H12N2O3/c1-2-5-14-7-3-4-8(10)9(6-7)11(12)13/h3-4,6H,2,5,10H2,1H3
- InChI Key: VUMCVANUWQZNGD-UHFFFAOYSA-N
- SMILES: O(C1C=CC(=C(C=1)[N+](=O)[O-])N)CCC
Computed Properties
- Exact Mass: 196.08486
- Monoisotopic Mass: 196.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 193
- 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: 2.8
- Topological Polar Surface Area: 81.1?2
Experimental Properties
- Melting Point: 77.5-78.5 oC
- Solubility: Very slightly soluble (0.18 g/l) (25 o C),
- PSA: 78.39
2-nitro-4-propoxyaniline Related Literature
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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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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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