Ethyl D-(α-Methylbenzylimino)acetate - CAS 37662-05-8
Catalog: |
BB065610 |
Product Name: |
Ethyl D-(α-Methylbenzylimino)acetate |
CAS: |
37662-05-8 |
Synonyms: |
ACETIC ACID, 2-[[(1R)-1-PHENYLETHYL]IMINO]-, ETHYL ESTER; Ethyl 2-[(1R)-1-phenylethyl]iminoacetate; Ethyl (R,E)-2-((1-phenylethyl)imino)acetate; Ethyl D-(|A-Methylbenzylimino)acetate |
IUPAC Name: | ethyl 2-[(1R)-1-phenylethyl]iminoacetate |
Molecular Weight: | 205.25 |
Molecular Formula: | C12H15NO2 |
Canonical SMILES: | CCOC(=O)C=NC(C)C1=CC=CC=C1 |
InChI: | InChI=1S/C12H15NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/t10-/m1/s1 |
InChI Key: | VHFZIBNRJPBOBX-SNVBAGLBSA-N |
Solubility: | DCM |
Appearance: | Orange Oil |
References: | Bailey, P. D., et al. Tetrahedron. Asy., 2, 1263 (1991); Bailey, P.D., et al. J. Chem. Soc., 5, 1337 (1972). |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.110278721 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 38.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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