Home Other Building Blocks 1-(3,5-dimethylbenzoyl)piperazine hydrochloride

1-(3,5-dimethylbenzoyl)piperazine hydrochloride

CAS No.:
1803604-33-2
Catalog Number:
AG01B18L
Molecular Formula:
C13H19ClN2O
Molecular Weight:
254.7558
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Product Description
Catalog Number:
AG01B18L
Chemical Name:
1-(3,5-dimethylbenzoyl)piperazine hydrochloride
CAS Number:
1803604-33-2
Molecular Formula:
C13H19ClN2O
Molecular Weight:
254.7558
MDL Number:
MFCD28012173
IUPAC Name:
(3,5-dimethylphenyl)-piperazin-1-ylmethanone;hydrochloride
InChI:
InChI=1S/C13H18N2O.ClH/c1-10-7-11(2)9-12(8-10)13(16)15-5-3-14-4-6-15;/h7-9,14H,3-6H2,1-2H3;1H
InChI Key:
TUXQTZQKTGPSPC-UHFFFAOYSA-N
SMILES:
O=C(c1cc(C)cc(c1)C)N1CCNCC1.Cl
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.119g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.758g/mol
Monoisotopic Mass:
254.119g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties