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1374408-25-9 | 3-(3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride
CAS No: 1374408-25-9 Catalog No: AG01FMDL MDL No:MFCD22201586
Product Description
Catalog Number:
AG01FMDL
Chemical Name:
3-(3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride
CAS Number:
1374408-25-9
Molecular Formula:
C12H16ClN3O2
Molecular Weight:
269.7273
MDL Number:
MFCD22201586
IUPAC Name:
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
InChI:
InChI=1S/C12H15N3O2.ClH/c1-16-10-6-4-9(5-7-10)12-14-11(17-15-12)3-2-8-13;/h4-7H,2-3,8,13H2,1H3;1H
InChI Key:
AUAHSXASSDNKMH-UHFFFAOYSA-N
SMILES:
NCCCc1onc(n1)c1ccc(cc1)OC.Cl
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.729g/mol
Monoisotopic Mass:
269.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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