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Home > Pyridines > 115849-85-9
115849-85-9 | 1-Tetradecanone, 3-hydroxy-1-[2-(3-pyridinyl)-1-pyrrolidinyl]-
CAS No: 115849-85-9 Catalog No: AG000GZ4 MDL No:
Product Description
Catalog Number:
AG000GZ4
Chemical Name:
1-Tetradecanone, 3-hydroxy-1-[2-(3-pyridinyl)-1-pyrrolidinyl]-
CAS Number:
115849-85-9
Molecular Formula:
C23H38N2O2
Molecular Weight:
374.5600
IUPAC Name:
3-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)tetradecan-1-one
InChI:
InChI=1S/C23H38N2O2/c1-2-3-4-5-6-7-8-9-10-14-21(26)18-23(27)25-17-12-15-22(25)20-13-11-16-24-19-20/h11,13,16,19,21-22,26H,2-10,12,14-15,17-18H2,1H3
InChI Key:
IVQPXCJLQNWLNQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(CC(=O)N1CCCC1c1cccnc1)O
Properties
Complexity:
402
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:
13
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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