Home Other Building Blocks 1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]ethan-1-amine, oxalic acid

1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]ethan-1-amine, oxalic acid

CAS No.:
1803609-01-9
Catalog Number:
AG01BCN3
Molecular Formula:
C13H15N3O6
Molecular Weight:
309.2747
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Product Description
Catalog Number:
AG01BCN3
Chemical Name:
1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]ethan-1-amine, oxalic acid
CAS Number:
1803609-01-9
Molecular Formula:
C13H15N3O6
Molecular Weight:
309.2747
MDL Number:
MFCD28954194
IUPAC Name:
oxalic acid;1-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine
InChI:
InChI=1S/C11H13N3O2.C2H2O4/c1-8(12)11-14-13-10(16-11)7-15-9-5-3-2-4-6-9;3-1(4)2(5)6/h2-6,8H,7,12H2,1H3;(H,3,4)(H,5,6)
InChI Key:
PEPXOHYZMYYTLM-UHFFFAOYSA-N
SMILES:
CC(c1nnc(o1)COc1ccccc1)N.OC(=O)C(=O)O
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.096g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
309.278g/mol
Monoisotopic Mass:
309.096g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties