Home Other Building Blocks 4-[4-(propan-2-yl)piperazin-1-yl]benzoic acid hydrochloride

4-[4-(propan-2-yl)piperazin-1-yl]benzoic acid hydrochloride

CAS No.:
1221726-16-4
Catalog Number:
AG019XV8
Molecular Formula:
C14H21ClN2O2
Molecular Weight:
284.7817
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Product Description
Catalog Number:
AG019XV8
Chemical Name:
4-[4-(propan-2-yl)piperazin-1-yl]benzoic acid hydrochloride
CAS Number:
1221726-16-4
Molecular Formula:
C14H21ClN2O2
Molecular Weight:
284.7817
MDL Number:
MFCD13368217
IUPAC Name:
4-(4-propan-2-ylpiperazin-1-yl)benzoic acid;hydrochloride
InChI:
InChI=1S/C14H20N2O2.ClH/c1-11(2)15-7-9-16(10-8-15)13-5-3-12(4-6-13)14(17)18;/h3-6,11H,7-10H2,1-2H3,(H,17,18);1H
InChI Key:
IWUKEARREIYNCJ-UHFFFAOYSA-N
SMILES:
CC(N1CCN(CC1)c1ccc(cc1)C(=O)O)C.Cl
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.129g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.784g/mol
Monoisotopic Mass:
284.129g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties