Cas no 202460-49-9 (1,3-Propanediamine,N-(5-nitro-2-pyridinyl)-(9CI))
202460-49-9 structure
Product Name:1,3-Propanediamine,N-(5-nitro-2-pyridinyl)-(9CI)
CAS No:202460-49-9
MF:C8H12N4O2
MW:196.206480979919
CID:909381
PubChem ID:22170116
Update Time:2025-04-19
1,3-Propanediamine,N-(5-nitro-2-pyridinyl)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediamine,N-(5-nitro-2-pyridinyl)-(9CI)
- (3-Amino-propyl)-(3-diaethylamino-propyl)-amin
- (3-amino-propyl)-(3-diethylamino-propyl)-amine
- (3-aminopropyl)(5-nitro(2-pyridyl))amine
- (3-aminopropyl)(5-nitro(pyridin-2-yl))amine
- 1,3-Propanediamine, N'-(3-aminopropyl)-N,N-diethyl-
- 1-diethylamine
- 3-(3-diethylaminopropylamino)propylamine
- ACMC-20m6ca
- CTK0G6993
- SCHEMBL5099213
- NRSKZCLHBVKNNN-UHFFFAOYSA-N
- (3-aminopropyl)(5-nitro (2-pyridyl))amine
- AKOS000195307
- 202460-49-9
-
- Inchi： 1S/C8H12N4O2/c9-4-1-5-10-8-3-2-7(6-11-8)12(13)14/h2-3,6H,1,4-5,9H2,(H,10,11)
- InChI Key： NRSKZCLHBVKNNN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CN=C(C=C1)NCCCN)=O
Computed Properties
- Exact Mass: 196.09600
- Monoisotopic Mass: 196.09602564g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 183
- 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
- Topological Polar Surface Area: 96.8?2
Experimental Properties
- PSA: 96.76000
- LogP: 2.04700
1,3-Propanediamine,N-(5-nitro-2-pyridinyl)-(9CI) Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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