Cas no 62776-11-8 (1,4-Butanediamine, N,N'-bis(6-chloro-3-pyridazinyl)-)
62776-11-8 structure
Product Name:1,4-Butanediamine, N,N'-bis(6-chloro-3-pyridazinyl)-
CAS No:62776-11-8
MF:C12H14Cl2N6
MW:313.185759067535
CID:431624
PubChem ID:12322552
Update Time:2025-04-19
1,4-Butanediamine, N,N'-bis(6-chloro-3-pyridazinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Butanediamine, N,N'-bis(6-chloro-3-pyridazinyl)-
- N,N'-bis(6-chloropyridazin-3-yl)butane-1,4-diamine
- N~1~,N~4~-Bis(6-chloropyridazin-3-yl)butane-1,4-diamine
- DTXSID00488844
- 62776-11-8
-
- Inchi： 1S/C12H14Cl2N6/c13-9-3-5-11(19-17-9)15-7-1-2-8-16-12-6-4-10(14)18-20-12/h3-6H,1-2,7-8H2,(H,15,19)(H,16,20)
- InChI Key： XSBYLWCBXSJINV-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(N=N1)NCCCCNC1=CC=C(N=N1)Cl
Computed Properties
- Exact Mass: 312.06602
- Monoisotopic Mass: 312.0656999g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 244
- 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: 2.7
- Topological Polar Surface Area: 75.6?2
Experimental Properties
- PSA: 75.62
1,4-Butanediamine, N,N'-bis(6-chloro-3-pyridazinyl)- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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