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80712-13-6 | 1-(2,4-DIMETHYLALLOPHANOYL)-4-(2-CHLOROPHENYL)PIPERAZINE
CAS No: 80712-13-6 Catalog No: AG0051QB MDL No:
Product Description
Catalog Number:
AG0051QB
Chemical Name:
1-(2,4-DIMETHYLALLOPHANOYL)-4-(2-CHLOROPHENYL)PIPERAZINE
CAS Number:
80712-13-6
Molecular Formula:
C14H19ClN4O2
Molecular Weight:
310.7793
IUPAC Name:
4-(2-chlorophenyl)-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
InChI:
InChI=1S/C14H19ClN4O2/c1-16-13(20)17(2)14(21)19-9-7-18(8-10-19)12-6-4-3-5-11(12)15/h3-6H,7-10H2,1-2H3,(H,16,20)
InChI Key:
VILOPYIQWGNAGC-UHFFFAOYSA-N
SMILES:
CNC(=O)N(C(=O)N1CCN(CC1)c1ccccc1Cl)C
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.782g/mol
Monoisotopic Mass:
310.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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