Cas no 1383050-89-2 (6-chloro-N3-isopentylpyridine-2,3-diamine)
1383050-89-2 structure
Product Name:6-chloro-N3-isopentylpyridine-2,3-diamine
CAS No:1383050-89-2
MF:C10H16ClN3
MW:213.707140922546
CID:2115380
Update Time:2023-11-19
6-chloro-N3-isopentylpyridine-2,3-diamine Chemical and Physical Properties
Names and Identifiers
-
- 6-chloro-N3-isopentylpyridine-2,3-diamine
- CID 88544952
- 2,3-Pyridinediamine, 6-chloro-N3-(3-methylbutyl)-
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- Inchi： 1S/C10H16ClN3/c1-7(2)5-6-13-8-3-4-9(11)14-10(8)12/h3-4,7,13H,5-6H2,1-2H3,(H2,12,14)
- InChI Key： WQHVTOJHJDSYAJ-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(N)=N1)NCCC(C)C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 163
- Topological Polar Surface Area: 50.9
Experimental Properties
- Density: 1.169±0.06 g/cm3(Predicted)
- Boiling Point: 367.1±42.0 °C(Predicted)
- pka: 3.36±0.11(Predicted)
6-chloro-N3-isopentylpyridine-2,3-diamine Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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