Cas no 660831-14-1 (Benzonitrile, 5-chloro-2-(3,5-dimethyl-1-piperidinyl)-)
660831-14-1 structure
Product Name:Benzonitrile, 5-chloro-2-(3,5-dimethyl-1-piperidinyl)-
CAS No:660831-14-1
MF:C14H17ClN2
MW:248.751182317734
CID:1702045
Update Time:2024-08-31
Benzonitrile, 5-chloro-2-(3,5-dimethyl-1-piperidinyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzonitrile, 5-chloro-2-(3,5-dimethyl-1-piperidinyl)-
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- Inchi： 1S/C14H17ClN2/c1-10-5-11(2)9-17(8-10)14-4-3-13(15)6-12(14)7-16/h3-4,6,10-11H,5,8-9H2,1-2H3
- InChI Key： RTCOQDDCSPURHE-UHFFFAOYSA-N
- SMILES： C(#N)C1=CC(Cl)=CC=C1N1CC(C)CC(C)C1
Computed Properties
- Exact Mass: 248.10821
Experimental Properties
- Density: 1.15±0.1 g/cm3(Predicted)
- Boiling Point: 375.4±32.0 °C(Predicted)
- PSA: 27.03
- pka: -0.58±0.40(Predicted)
Benzonitrile, 5-chloro-2-(3,5-dimethyl-1-piperidinyl)- Related Literature
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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