Cas no 7634-70-0 (1-(1-Phenylethyl)pentylamine)
1-(1-Phenylethyl)pentylamine structure
Product Name:1-(1-Phenylethyl)pentylamine
CAS No:7634-70-0
MF:C13H21N
MW:191.3125436306
CID:2669323
Update Time:2023-08-06
1-(1-Phenylethyl)pentylamine Chemical and Physical Properties
Names and Identifiers
-
- α-Butyl-β-methylphenethylamine
- 1-(1-Phenylethyl)pentylamine
- Phenethylamine, .alpha.-butyl-.beta.-methyl-
- 1-(1-Phenylethyl)pentylamine #
- AKUPZOOOUBWKBK-UHFFFAOYSA-N
- alpha-Butyl-beta-methylphenethylamine
-
- Inchi： 1S/C13H21N/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10,14H2,1-2H3
- InChI Key： AKUPZOOOUBWKBK-UHFFFAOYSA-N
- SMILES： NC(CCCC)C(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 191.167
- Monoisotopic Mass: 191.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 138
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26
1-(1-Phenylethyl)pentylamine Related Literature
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Soumaya Khlifi,Gregory Mouille,Jonathan Farjon Anal. Methods, 2017,9, 2328-2333
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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