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1217696-54-2 | 1-Pyrrolidinecarboxylic acid, 3-(dimethylamino)-, phenylmethyl ester, (3R)-
CAS No: 1217696-54-2 Catalog No: AG0015WJ MDL No:
Product Description
Catalog Number:
AG0015WJ
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(dimethylamino)-, phenylmethyl ester, (3R)-
CAS Number:
1217696-54-2
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
benzyl (3R)-3-(dimethylamino)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-15(2)13-8-9-16(10-13)14(17)18-11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m1/s1
InChI Key:
QDGMWECEVJXVJU-CYBMUJFWSA-N
SMILES:
CN([C@@H]1CCN(C1)C(=O)OCc1ccccc1)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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