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1820705-96-1 | 1-(3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl)-3-(methylthio)propan-1-amine oxalate
CAS No: 1820705-96-1 Catalog No: AG01FMF6 MDL No:MFCD28370004
Product Description
Catalog Number:
AG01FMF6
Chemical Name:
1-(3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl)-3-(methylthio)propan-1-amine oxalate
CAS Number:
1820705-96-1
Molecular Formula:
C11H19N3O6S
Molecular Weight:
321.3501
MDL Number:
MFCD28370004
IUPAC Name:
1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine;oxalic acid
InChI:
InChI=1S/C9H17N3O2S.C2H2O4/c1-13-5-3-8-11-9(14-12-8)7(10)4-6-15-2;3-1(4)2(5)6/h7H,3-6,10H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
WJFVQMBSIZRKHP-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.COCCc1noc(n1)C(CCSC)N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.099g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
321.348g/mol
Monoisotopic Mass:
321.099g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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