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127641-25-2 | 1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αR,βS)-
CAS No: 127641-25-2 Catalog No: AG000X8U MDL No:MFCD01632702
Product Description
Catalog Number:
AG000X8U
Chemical Name:
1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αR,βS)-
CAS Number:
127641-25-2
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
MDL Number:
MFCD01632702
IUPAC Name:
(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
InChI:
InChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/m0/s1
InChI Key:
FZVHJGJBJLFWEX-AAEUAGOBSA-N
SMILES:
O[C@@H]([C@@H](N1CCCC1)C)c1ccccc1
UNII:
WIS9Q321LW
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones. | Organic & biomolecular chemistry 20120428 |
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