Home Other Building Blocks 4-(4-ethylpiperazin-1-yl)benzoic acid hydrochloride

4-(4-ethylpiperazin-1-yl)benzoic acid hydrochloride

CAS No.:
940284-81-1
Catalog Number:
AG01AHKE
Molecular Formula:
C13H19ClN2O2
Molecular Weight:
270.7552
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Product Description
Catalog Number:
AG01AHKE
Chemical Name:
4-(4-ethylpiperazin-1-yl)benzoic acid hydrochloride
CAS Number:
940284-81-1
Molecular Formula:
C13H19ClN2O2
Molecular Weight:
270.7552
MDL Number:
MFCD18785504
IUPAC Name:
4-(4-ethylpiperazin-1-yl)benzoic acid;hydrochloride
InChI:
InChI=1S/C13H18N2O2.ClH/c1-2-14-7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17;/h3-6H,2,7-10H2,1H3,(H,16,17);1H
InChI Key:
NQXIEWIFTRSCDG-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1ccc(cc1)C(=O)O.Cl
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.114g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
270.757g/mol
Monoisotopic Mass:
270.114g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties