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1172088-56-0 | 1,3,4-Oxadiazole-2-methanamine, 5-methyl-, hydrochloride (1:1)
CAS No: 1172088-56-0 Catalog No: AG000DX4 MDL No:MFCD06738896
Product Description
Catalog Number:
AG000DX4
Chemical Name:
1,3,4-Oxadiazole-2-methanamine, 5-methyl-, hydrochloride (1:1)
CAS Number:
1172088-56-0
Molecular Formula:
C4H8ClN3O
Molecular Weight:
149.5788
MDL Number:
MFCD06738896
IUPAC Name:
(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
InChI:
InChI=1S/C4H7N3O.ClH/c1-3-6-7-4(2-5)8-3;/h2,5H2,1H3;1H
InChI Key:
QXUKUCKOYMDDRY-UHFFFAOYSA-N
SMILES:
Cc1nnc(o1)CN.Cl
Properties
Complexity:
77.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.036g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.578g/mol
Monoisotopic Mass:
149.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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