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80712-21-6 | 1-(2-CHLOROPHENYL)-4-(2,4,4-TRIMETHYLALLOPHANOYL)PIPERAZINE
CAS No: 80712-21-6 Catalog No: AG0051Q8 MDL No:
Product Description
Catalog Number:
AG0051Q8
Chemical Name:
1-(2-CHLOROPHENYL)-4-(2,4,4-TRIMETHYLALLOPHANOYL)PIPERAZINE
CAS Number:
80712-21-6
Molecular Formula:
C15H21ClN4O2
Molecular Weight:
324.8058
IUPAC Name:
4-(2-chlorophenyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
InChI:
InChI=1S/C15H21ClN4O2/c1-17(2)14(21)18(3)15(22)20-10-8-19(9-11-20)13-7-5-4-6-12(13)16/h4-7H,8-11H2,1-3H3
InChI Key:
YULZKLOJFBGPMY-UHFFFAOYSA-N
SMILES:
O=C(N(C(=O)N1CCN(CC1)c1ccccc1Cl)C)N(C)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.135g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.809g/mol
Monoisotopic Mass:
324.135g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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