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1017232-95-9 | 1,3,4-Oxadiazole-2-ethanamine, 5-(phenylmethyl)-
CAS No: 1017232-95-9 Catalog No: AG0005BN MDL No:MFCD09883785
Product Description
Catalog Number:
AG0005BN
Chemical Name:
1,3,4-Oxadiazole-2-ethanamine, 5-(phenylmethyl)-
CAS Number:
1017232-95-9
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD09883785
IUPAC Name:
2-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanamine
InChI:
InChI=1S/C11H13N3O/c12-7-6-10-13-14-11(15-10)8-9-4-2-1-3-5-9/h1-5H,6-8,12H2
InChI Key:
KGQKPPASFROPOQ-UHFFFAOYSA-N
SMILES:
NCCc1nnc(o1)Cc1ccccc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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