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887405-27-8 | N-Methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
CAS No: 887405-27-8 Catalog No: AG004E1S MDL No:MFCD09055379
Product Description
Catalog Number:
AG004E1S
Chemical Name:
N-Methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
CAS Number:
887405-27-8
Molecular Formula:
C5H9N3O
Molecular Weight:
127.1445
MDL Number:
MFCD09055379
IUPAC Name:
N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
InChI:
InChI=1S/C5H9N3O/c1-4-7-8-5(9-4)3-6-2/h6H,3H2,1-2H3
InChI Key:
UBJBBIDQROEAMU-UHFFFAOYSA-N
SMILES:
CNCc1nnc(o1)C
Properties
Complexity:
88.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.075g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.147g/mol
Monoisotopic Mass:
127.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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