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20811-90-9 | Benzenepropanoic acid, 2,2,6,6-tetramethyl-1-(phenylmethyl)-4-piperidinyl ester
CAS No: 20811-90-9 Catalog No: AG002JHK MDL No:
Product Description
Catalog Number:
AG002JHK
Chemical Name:
Benzenepropanoic acid, 2,2,6,6-tetramethyl-1-(phenylmethyl)-4-piperidinyl ester
CAS Number:
20811-90-9
Molecular Formula:
C25H33NO2
Molecular Weight:
379.5350
IUPAC Name:
(1-benzyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-phenylpropanoate
InChI:
InChI=1S/C25H33NO2/c1-24(2)17-22(28-23(27)16-15-20-11-7-5-8-12-20)18-25(3,4)26(24)19-21-13-9-6-10-14-21/h5-14,22H,15-19H2,1-4H3
InChI Key:
HOGLVZDRLPOPQS-UHFFFAOYSA-N
SMILES:
O=C(OC1CC(C)(C)N(C(C1)(C)C)Cc1ccccc1)CCc1ccccc1
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.251g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.544g/mol
Monoisotopic Mass:
379.251g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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