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1159825-48-5 | 1,2,5-Oxadiazole-3-methanamine, 4-methyl-, hydrochloride (1:1)
CAS No: 1159825-48-5 Catalog No: AG000HBN MDL No:MFCD06739028
Product Description
Catalog Number:
AG000HBN
Chemical Name:
1,2,5-Oxadiazole-3-methanamine, 4-methyl-, hydrochloride (1:1)
CAS Number:
1159825-48-5
Molecular Formula:
C4H8ClN3O
Molecular Weight:
149.5788
MDL Number:
MFCD06739028
IUPAC Name:
(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride
InChI:
InChI=1S/C4H7N3O.ClH/c1-3-4(2-5)7-8-6-3;/h2,5H2,1H3;1H
InChI Key:
BUALBYKULRRUTR-UHFFFAOYSA-N
SMILES:
Cc1nonc1CN.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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