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79834-43-8 | Piperazine, 1-(4-aminobenzoyl)-4-(4-methylphenyl)-
CAS No: 79834-43-8 Catalog No: AG00503V MDL No:
Product Description
Catalog Number:
AG00503V
Chemical Name:
Piperazine, 1-(4-aminobenzoyl)-4-(4-methylphenyl)-
CAS Number:
79834-43-8
Molecular Formula:
C18H21N3O
Molecular Weight:
295.3788
IUPAC Name:
(4-aminophenyl)-[4-(4-methylphenyl)piperazin-1-yl]methanone
InChI:
InChI=1S/C18H21N3O/c1-14-2-8-17(9-3-14)20-10-12-21(13-11-20)18(22)15-4-6-16(19)7-5-15/h2-9H,10-13,19H2,1H3
InChI Key:
ZBBWAHJUNBMGCM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)N
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.386g/mol
Monoisotopic Mass:
295.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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