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102504-41-6 | 1,2,4-Oxadiazole-5-methanamine, 2,3-dihydro-N-methyl-N-(1-methylethyl)-3-phenyl-, hydrochloride (1:1)
CAS No: 102504-41-6 Catalog No: AG0007MD MDL No:
Product Description
Catalog Number:
AG0007MD
Chemical Name:
1,2,4-Oxadiazole-5-methanamine, 2,3-dihydro-N-methyl-N-(1-methylethyl)-3-phenyl-, hydrochloride (1:1)
CAS Number:
102504-41-6
Molecular Formula:
C13H20ClN3O
Molecular Weight:
269.7704
IUPAC Name:
methyl-[(3-phenyl-2H-oxadiazol-5-yl)methyl]-propan-2-ylazanium;chloride
InChI:
InChI=1S/C13H19N3O.ClH/c1-11(2)15(3)9-13-10-16(14-17-13)12-7-5-4-6-8-12;/h4-8,10-11,14H,9H2,1-3H3;1H
InChI Key:
UYTLRTZMGDMJAO-UHFFFAOYSA-N
SMILES:
CC(N(CC1=NC(NO1)c1ccccc1)C)C.Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.129g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.773g/mol
Monoisotopic Mass:
269.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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