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Home > Pyridines > 115849-84-8
115849-84-8 | 1-Tridecanone, 3-hydroxy-12-methyl-1-[2-(3-pyridinyl)-1-pyrrolidinyl]-
CAS No: 115849-84-8 Catalog No: AG000GXZ MDL No:
Product Description
Catalog Number:
AG000GXZ
Chemical Name:
1-Tridecanone, 3-hydroxy-12-methyl-1-[2-(3-pyridinyl)-1-pyrrolidinyl]-
CAS Number:
115849-84-8
Molecular Formula:
C23H38N2O2
Molecular Weight:
374.5600
IUPAC Name:
3-hydroxy-12-methyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)tridecan-1-one
InChI:
InChI=1S/C23H38N2O2/c1-19(2)11-7-5-3-4-6-8-13-21(26)17-23(27)25-16-10-14-22(25)20-12-9-15-24-18-20/h9,12,15,18-19,21-22,26H,3-8,10-11,13-14,16-17H2,1-2H3
InChI Key:
SHZBFDWXFJTSEI-UHFFFAOYSA-N
SMILES:
OC(CC(=O)N1CCCC1c1cccnc1)CCCCCCCCC(C)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.293g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.569g/mol
Monoisotopic Mass:
374.293g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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