Cas no 917911-63-8 (Benzenemethanamine,3-(1,1-dimethylethoxy)-a-methyl-, (aS)-)
917911-63-8 structure
Product Name:Benzenemethanamine,3-(1,1-dimethylethoxy)-a-methyl-, (aS)-
CAS No:917911-63-8
MF:C12H19NO
MW:193.285363435745
CID:803224
PubChem ID:67254220
Update Time:2025-04-19
Benzenemethanamine,3-(1,1-dimethylethoxy)-a-methyl-, (aS)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine,3-(1,1-dimethylethoxy)-a-methyl-, (aS)-
- BENZENEMETHANAMINE, 3-(1,1-DIMETHYLETHOXY)-Α-METHYL-, (ΑS)-
- 3-(1,1-Dimethylethoxy)-alpha-methylbenzenemethanamine
- 1-(3-tert-Butoxyphenyl)ethylamine
- Benzenemethanamine, 3-(1,1-dimethylethoxy)-alpha-methyl-, (alphaS)-
- SCHEMBL2031161
- AKOS017530014
- 917911-63-8
- ZDOUTQWLXKPPQX-UHFFFAOYSA-N
- Benzenemethanamine, 3-(1,1-dimethylethoxy)-alpha-methyl-, (alphaR)-
- DTXSID301233875
- 917911-64-9
- 917911-61-6
-
- Inchi： 1S/C12H19NO/c1-9(13)10-6-5-7-11(8-10)14-12(2,3)4/h5-9H,13H2,1-4H3
- InChI Key： ZDOUTQWLXKPPQX-UHFFFAOYSA-N
- SMILES： O(C1=CC=CC(=C1)C(C)N)C(C)(C)C
Computed Properties
- Exact Mass: 193.146664230g/mol
- Monoisotopic Mass: 193.146664230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 174
- 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
- XLogP3: 2.1
- Topological Polar Surface Area: 35.2?2
Benzenemethanamine,3-(1,1-dimethylethoxy)-a-methyl-, (aS)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
917911-63-8 (Benzenemethanamine,3-(1,1-dimethylethoxy)-a-methyl-, (aS)-) Related Products
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