Home Amines 1017131-06-4
1017131-06-4,MFCD09883707
Catalog No.:AA00057C
1017131-06-4 | (5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine
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Technical Information
Catalog Number:
AA00057C
Chemical Name:
(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine
CAS Number:
1017131-06-4
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD09883707
IUPAC Name:
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine
InChI:
InChI=1S/C6H9N3O/c7-3-5-8-9-6(10-5)4-1-2-4/h4H,1-3,7H2
InChI Key:
DNVNVWZQZDEHMD-UHFFFAOYSA-N
SMILES:
NCc1nnc(o1)C1CC1
Properties
Computed Properties
 
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  

Synonyms
 
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine 
1017131-06-4 
KS-000023KI 
ZINC11585588 
AKOS011348763 
BS-9743 
[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amine hydrochloride 
ACN-039271 
C-(5-Cyclopropyl-[1,3,4]oxadiazol-2-yl)-methylamine 
Literature
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