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87148-62-7 | 3-Butyn-2-ol, 4-[6-[2-(diethylamino)ethoxy]-3-pyridinyl]-2-methyl-
CAS No: 87148-62-7 Catalog No: AG004TA9 MDL No:
Product Description
Catalog Number:
AG004TA9
Chemical Name:
3-Butyn-2-ol, 4-[6-[2-(diethylamino)ethoxy]-3-pyridinyl]-2-methyl-
CAS Number:
87148-62-7
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
IUPAC Name:
4-[6-[2-(diethylamino)ethoxy]pyridin-3-yl]-2-methylbut-3-yn-2-ol
InChI:
InChI=1S/C16H24N2O2/c1-5-18(6-2)11-12-20-15-8-7-14(13-17-15)9-10-16(3,4)19/h7-8,13,19H,5-6,11-12H2,1-4H3
InChI Key:
JLDQVEIPHJEOAQ-UHFFFAOYSA-N
SMILES:
CCN(CCOc1ccc(cn1)C#CC(O)(C)C)CC
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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