Cas no 78551-90-3 (1-BENZYL-2(S)-ISOBUTYL-PIPERAZINE)
78551-90-3 structure
Product Name:1-BENZYL-2(S)-ISOBUTYL-PIPERAZINE
CAS No:78551-90-3
MF:C15H24N2
MW:232.364463806152
CID:891214
Update Time:2024-02-05
1-BENZYL-2(S)-ISOBUTYL-PIPERAZINE Chemical and Physical Properties
Names and Identifiers
-
- 1-BENZYL-2(S)-ISOBUTYL-PIPERAZINE
- (2S)-1-Benzyl-2-isobutylpiperazine
- LogP
- piperazine, 2-(2-methylpropyl)-1-(phenylmethyl)-, (2S)-
- (S)-1-BENZYL-2-ISOBUTYLPIPERAZINE
- (R)-1-BENZYL-2-ISOBUTYLPIPERAZINE
-
- Inchi： 1S/C15H24N2/c1-13(2)10-15-11-16-8-9-17(15)12-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3/t15-/m0/s1
- InChI Key： JCSNNVKKAGOQHM-HNNXBMFYSA-N
- SMILES： N1(CCNC[C@@H]1CC(C)C)CC1=CC=CC=C1
Computed Properties
- Exact Mass: 232.194
- Monoisotopic Mass: 232.194
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 209
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 15.3A^2
Experimental Properties
- Density: 0.956
- Boiling Point: 326.2°C at 760 mmHg
- Flash Point: 114.8°C
- Refractive Index: 1.513
1-BENZYL-2(S)-ISOBUTYL-PIPERAZINE Related Literature
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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