4-[(2-amino-1,3-thiazol-5-yl)methyl]benzonitrile


Chemical Name: 4-[(2-amino-1,3-thiazol-5-yl)methyl]benzonitrile
CAS Number: 926253-88-5
Product Number: AG00H5AN(AGN-PC-015QKO)
Synonyms:
MDL No: MFCD08442697
Molecular Formula: C11H9N3S
Molecular Weight: 215.2743

Identification/Properties


Computed Properties
Molecular Weight:
215.274g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
215.052g/mol
Monoisotopic Mass:
215.052g/mol
Topological Polar Surface Area:
90.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
252
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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