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Home > Pyridines > 179120-73-1
179120-73-1 | 3-Butyn-2-ol, 2-methyl-4-[5-(1-methyl-2-pyrrolidinyl)-3-pyridinyl]-
CAS No: 179120-73-1 Catalog No: AG0026TF MDL No:
Product Description
Catalog Number:
AG0026TF
Chemical Name:
3-Butyn-2-ol, 2-methyl-4-[5-(1-methyl-2-pyrrolidinyl)-3-pyridinyl]-
CAS Number:
179120-73-1
Molecular Formula:
C15H20N2O
Molecular Weight:
244.3321
IUPAC Name:
2-methyl-4-[5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]but-3-yn-2-ol
InChI:
InChI=1S/C15H20N2O/c1-15(2,18)7-6-12-9-13(11-16-10-12)14-5-4-8-17(14)3/h9-11,14,18H,4-5,8H2,1-3H3
InChI Key:
IFPUJRNUSSIRNX-UHFFFAOYSA-N
SMILES:
CN1CCCC1c1cncc(c1)C#CC(O)(C)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.338g/mol
Monoisotopic Mass:
244.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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