Cas no 88944-60-9 (1,3-Propanediamine, N'-(5-chloro-1H-indazol-3-yl)-N,N-diethyl-)
88944-60-9 structure
Product Name:1,3-Propanediamine, N'-(5-chloro-1H-indazol-3-yl)-N,N-diethyl-
CAS No:88944-60-9
MF:C14H21ClN4
MW:280.796341657639
CID:618953
PubChem ID:13728702
Update Time:2025-04-19
1,3-Propanediamine, N'-(5-chloro-1H-indazol-3-yl)-N,N-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediamine, N'-(5-chloro-1H-indazol-3-yl)-N,N-diethyl-
- N-(5-chloro-1H-indazol-3-yl)-N',N'-diethylpropane-1,3-diamine
- DTXSID00547788
- 88944-60-9
- N~3~-(5-Chloro-1H-indazol-3-yl)-N~1~,N~1~-diethylpropane-1,3-diamine
- SCHEMBL10369093
-
- Inchi： 1S/C14H21ClN4/c1-3-19(4-2)9-5-8-16-14-12-10-11(15)6-7-13(12)17-18-14/h6-7,10H,3-5,8-9H2,1-2H3,(H2,16,17,18)
- InChI Key： WURQDLIASVBFGX-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)C(=NN2)NCCCN(CC)CC
Computed Properties
- Exact Mass: 280.1454744g/mol
- Monoisotopic Mass: 280.1454744g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 260
- 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: 3.6
- Topological Polar Surface Area: 44?2
1,3-Propanediamine, N'-(5-chloro-1H-indazol-3-yl)-N,N-diethyl- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
88944-60-9 (1,3-Propanediamine, N'-(5-chloro-1H-indazol-3-yl)-N,N-diethyl-) Related Products
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