Home Other Building Blocks 2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethan-1-amine dihydrochloride

2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethan-1-amine dihydrochloride

CAS No.:
1376393-91-7
Catalog Number:
AG01AA9Z
Molecular Formula:
C9H12Cl2N4O
Molecular Weight:
263.1238
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Product Description
Catalog Number:
AG01AA9Z
Chemical Name:
2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethan-1-amine dihydrochloride
CAS Number:
1376393-91-7
Molecular Formula:
C9H12Cl2N4O
Molecular Weight:
263.1238
MDL Number:
MFCD22196663
IUPAC Name:
2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride
InChI:
InChI=1S/C9H10N4O.2ClH/c10-4-1-8-12-9(13-14-8)7-2-5-11-6-3-7;;/h2-3,5-6H,1,4,10H2;2*1H
InChI Key:
XSWQMQVFIBIMMZ-UHFFFAOYSA-N
SMILES:
NCCc1onc(n1)c1ccncc1.Cl.Cl
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.039g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
263.122g/mol
Monoisotopic Mass:
262.039g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties