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87148-57-0 | Ethanamine, N,N-diethyl-2-[[5-(2-thienylethynyl)-2-pyrimidinyl]oxy]-
CAS No: 87148-57-0 Catalog No: AG004KIS MDL No:
Product Description
Catalog Number:
AG004KIS
Chemical Name:
Ethanamine, N,N-diethyl-2-[[5-(2-thienylethynyl)-2-pyrimidinyl]oxy]-
CAS Number:
87148-57-0
Molecular Formula:
C16H19N3OS
Molecular Weight:
301.4066
IUPAC Name:
N,N-diethyl-2-[5-(2-thiophen-2-ylethynyl)pyrimidin-2-yl]oxyethanamine
InChI:
InChI=1S/C16H19N3OS/c1-3-19(4-2)9-10-20-16-17-12-14(13-18-16)7-8-15-6-5-11-21-15/h5-6,11-13H,3-4,9-10H2,1-2H3
InChI Key:
UNRCQMIDWNKSPE-UHFFFAOYSA-N
SMILES:
CCN(CCOc1ncc(cn1)C#Cc1cccs1)CC
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.125g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.408g/mol
Monoisotopic Mass:
301.125g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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