Cas no 21901-36-0 (2-Pyridinamine, N,N,3-trimethyl-5-nitro-)
21901-36-0 structure
Product Name:2-Pyridinamine, N,N,3-trimethyl-5-nitro-
CAS No:21901-36-0
MF:C8H11N3O2
MW:181.191841363907
CID:1404924
PubChem ID:66907687
Update Time:2025-04-20
2-Pyridinamine, N,N,3-trimethyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinamine, N,N,3-trimethyl-5-nitro-
- N,N,3-trimethyl-5-nitro-2-Pyridinamine
- SCHEMBL1100036
- DA-43215
- 21901-36-0
-
- Inchi： 1S/C8H11N3O2/c1-6-4-7(11(12)13)5-9-8(6)10(2)3/h4-5H,1-3H3
- InChI Key： ITSUQKGWFHVUSZ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CN=C(C(C)=C1)N(C)C)=O
Computed Properties
- Exact Mass: 181.08523
- Monoisotopic Mass: 181.085126602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 190
- 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: 1.5
- Topological Polar Surface Area: 62?2
Experimental Properties
- PSA: 59.27
2-Pyridinamine, N,N,3-trimethyl-5-nitro- Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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