Cas no 147702-27-0 (Benzeneethanamine, -alpha--ethyl-3-methyl-)
147702-27-0 structure
Product Name:Benzeneethanamine, -alpha--ethyl-3-methyl-
CAS No:147702-27-0
MF:C11H17N
MW:163.264g/mol
CID:100705
Update Time:2023-11-19
Benzeneethanamine, -alpha--ethyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanamine, a-ethyl-3-methyl-
- Benzeneethanamine, -alpha--ethyl-3-methyl-
- 1-(3-methylphenyl)butan-2-amine
- CID 43566021
- 1-m-tolylbutan-2-amine
-
- Inchi: 1S/C11H17N/c1-3-11(12)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8,12H2,1-2H3
- InChI Key: UCIXNWNOJITDSI-UHFFFAOYSA-N
- SMILES: NC(CC)CC1C=CC=C(C)C=1
Computed Properties
- Exact Mass: 163.136
- Monoisotopic Mass: 163.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 122
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 2.6
- Topological Polar Surface Area: 26
Benzeneethanamine, -alpha--ethyl-3-methyl- Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
147702-27-0 (Benzeneethanamine, -alpha--ethyl-3-methyl-) Related Products
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