Home Other Building Blocks 3-(Piperazin-1-yl)benzoic acid hydrochloride

3-(Piperazin-1-yl)benzoic acid hydrochloride

CAS No.:
1998216-00-4
Catalog Number:
AG019EZB
Molecular Formula:
C11H15ClN2O2
Molecular Weight:
242.7020
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$232
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Product Description
Catalog Number:
AG019EZB
Chemical Name:
3-(Piperazin-1-yl)benzoic acid hydrochloride
CAS Number:
1998216-00-4
Molecular Formula:
C11H15ClN2O2
Molecular Weight:
242.7020
MDL Number:
MFCD30187530
IUPAC Name:
3-piperazin-1-ylbenzoic acid;hydrochloride
InChI:
InChI=1S/C11H14N2O2.ClH/c14-11(15)9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2,(H,14,15);1H
InChI Key:
WUIPIWUUGYGNDI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)N1CCNCC1.Cl
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.082g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
242.703g/mol
Monoisotopic Mass:
242.082g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties