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1353980-09-2 | 2-(Cyclopropyl-thiazol-5-ylmethyl-amino)-ethanol
CAS No: 1353980-09-2 Catalog No: AG01F9IX MDL No:
Product Description
Catalog Number:
AG01F9IX
Chemical Name:
2-(Cyclopropyl-thiazol-5-ylmethyl-amino)-ethanol
CAS Number:
1353980-09-2
Molecular Formula:
C9H14N2OS
Molecular Weight:
198.2853
IUPAC Name:
2-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]ethanol
InChI:
InChI=1S/C9H14N2OS/c12-4-3-11(8-1-2-8)6-9-5-10-7-13-9/h5,7-8,12H,1-4,6H2
InChI Key:
HIIHIUZMPMORMC-UHFFFAOYSA-N
SMILES:
OCCN(C1CC1)Cc1scnc1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.083g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.284g/mol
Monoisotopic Mass:
198.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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