Home Other Building Blocks 1-{5-[(propan-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}ethan-1-amine, oxalic acid

1-{5-[(propan-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}ethan-1-amine, oxalic acid

CAS No.:
1803590-67-1
Catalog Number:
AG01BCMV
Molecular Formula:
C10H17N3O6
Molecular Weight:
275.2585
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Product Description
Catalog Number:
AG01BCMV
Chemical Name:
1-{5-[(propan-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}ethan-1-amine, oxalic acid
CAS Number:
1803590-67-1
Molecular Formula:
C10H17N3O6
Molecular Weight:
275.2585
MDL Number:
MFCD28954192
IUPAC Name:
oxalic acid;1-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine
InChI:
InChI=1S/C8H15N3O2.C2H2O4/c1-5(2)12-4-7-10-11-8(13-7)6(3)9;3-1(4)2(5)6/h5-6H,4,9H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
SSMLWKGHMOLFFU-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CC(OCc1nnc(o1)C(N)C)C
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.112g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
275.261g/mol
Monoisotopic Mass:
275.112g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties