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88317-59-3 | Ethanamine, N,N-dimethyl-2-[[4-(4-pyridinyl)-2-thiazolyl]oxy]-
CAS No: 88317-59-3 Catalog No: AG0047RO MDL No:
Product Description
Catalog Number:
AG0047RO
Chemical Name:
Ethanamine, N,N-dimethyl-2-[[4-(4-pyridinyl)-2-thiazolyl]oxy]-
CAS Number:
88317-59-3
Molecular Formula:
C12H15N3OS
Molecular Weight:
249.3320
IUPAC Name:
N,N-dimethyl-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)oxy]ethanamine
InChI:
InChI=1S/C12H15N3OS/c1-15(2)7-8-16-12-14-11(9-17-12)10-3-5-13-6-4-10/h3-6,9H,7-8H2,1-2H3
InChI Key:
RRHBPAGEHSVYLW-UHFFFAOYSA-N
SMILES:
CN(CCOc1scc(n1)c1ccncc1)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.332g/mol
Monoisotopic Mass:
249.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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