Cas no 167762-96-1 (Benzeneethanamine, 4-(1-amino-1-methylethyl)-)
167762-96-1 structure
Product Name:Benzeneethanamine, 4-(1-amino-1-methylethyl)-
CAS No:167762-96-1
MF:C11H18N2
MW:178.274022579193
CID:1348451
PubChem ID:18349567
Update Time:2025-04-20
Benzeneethanamine, 4-(1-amino-1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanamine, 4-(1-amino-1-methylethyl)-
- 4-(1-Amino-1-methylethyl)phenethylamine
- SCHEMBL7875335
- QDUFMFWUAANWMV-UHFFFAOYSA-N
- 4-(1-Amino-1-methylethyl)benzeneethanamine
- 167762-96-1
- DTXSID201266148
-
- Inchi： 1S/C11H18N2/c1-11(2,13)10-5-3-9(4-6-10)7-8-12/h3-6H,7-8,12-13H2,1-2H3
- InChI Key： QDUFMFWUAANWMV-UHFFFAOYSA-N
- SMILES： NC(C)(C)C1C=CC(=CC=1)CCN
Computed Properties
- Exact Mass: 178.14714
- Monoisotopic Mass: 178.146998583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 146
- 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
- XLogP3: 0.7
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 52.04
Benzeneethanamine, 4-(1-amino-1-methylethyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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