Cas no 106261-52-3 (Benzoic acid, 4-[(hexahydro-1(2H)-azocinyl)methyl]-)
![Benzoic acid, 4-[(hexahydro-1(2H)-azocinyl)methyl]- structure](https://ossimg.kuujia.com/scimg/106500/106261-52-3x500.png)
106261-52-3 structure
Product Name:Benzoic acid, 4-[(hexahydro-1(2H)-azocinyl)methyl]-
CAS No:106261-52-3
MF:C15H21NO2
MW:247.33274435997
CID:1177033
Update Time:2024-08-05
Benzoic acid, 4-[(hexahydro-1(2H)-azocinyl)methyl]- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-[(hexahydro-1(2H)-azocinyl)methyl]-
- 4-(azocan-1-ylmethyl)benzoic acid
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- Inchi： 1S/C15H21NO2/c17-15(18)14-8-6-13(7-9-14)12-16-10-4-2-1-3-5-11-16/h6-9H,1-5,10-12H2,(H,17,18)
- InChI Key： RZBGIUDARKWDFT-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC=C(CN2CCCCCCC2)C=C1
Computed Properties
- Exact Mass: 247.15733
Experimental Properties
- Density: 1.105±0.06 g/cm3(Predicted)
- Boiling Point: 386.8±25.0 °C(Predicted)
- PSA: 40.54
- pka: 4.03±0.10(Predicted)
Benzoic acid, 4-[(hexahydro-1(2H)-azocinyl)methyl]- Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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