Cas no 917911-64-9 (Benzenemethanamine,3-(1,1-dimethylethoxy)-a-methyl-, (aR)-)
917911-64-9 structure
Product Name:Benzenemethanamine,3-(1,1-dimethylethoxy)-a-methyl-, (aR)-
CAS No:917911-64-9
MF:C12H19NO
MW:193.285363435745
CID:803225
PubChem ID:55264960
Update Time:2025-04-19
Benzenemethanamine,3-(1,1-dimethylethoxy)-a-methyl-, (aR)- Chemical and Physical Properties
Names and Identifiers
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- Benzenemethanamine,3-(1,1-dimethylethoxy)-a-methyl-, (aR)-
- BENZENEMETHANAMINE, 3-(1,1-DIMETHYLETHOXY)-Α-METHYL-, (ΑR)-
- Benzenemethanamine,3-(1,1-dimethylethoxy)-a-methyl-,(aR)
- Benzenemethanamine, 3-(1,1-dimethylethoxy)--methyl-, (R)-
- SCHEMBL2031297
- (1R)-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
- Benzenemethanamine,3-(1,1-dimethylethoxy)-a-methyl-,(aR)-
- ZDOUTQWLXKPPQX-SECBINFHSA-N
- (R)-1-(3-tert-butoxyphenyl)ethylamine
- 917911-64-9
- AKOS006307822
-
- Inchi： 1S/C12H19NO/c1-9(13)10-6-5-7-11(8-10)14-12(2,3)4/h5-9H,13H2,1-4H3/t9-/m1/s1
- InChI Key： ZDOUTQWLXKPPQX-SECBINFHSA-N
- SMILES： O(C1=CC=CC(=C1)[C@@H](C)N)C(C)(C)C
Computed Properties
- Exact Mass: 193.14700
- 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: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 35.2?2
Experimental Properties
- PSA: 35.25000
- LogP: 3.58390
Benzenemethanamine,3-(1,1-dimethylethoxy)-a-methyl-, (aR)- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
917911-64-9 (Benzenemethanamine,3-(1,1-dimethylethoxy)-a-methyl-, (aR)-) Related Products
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