Home Other Building Blocks methyl 2-(piperazin-1-yl)benzoate hydrochloride

methyl 2-(piperazin-1-yl)benzoate hydrochloride

CAS No.:
1394820-10-0
Catalog Number:
AG01DHVP
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
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Product Description
Catalog Number:
AG01DHVP
Chemical Name:
methyl 2-(piperazin-1-yl)benzoate hydrochloride
CAS Number:
1394820-10-0
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
MDL Number:
MFCD22393685
IUPAC Name:
methyl 2-piperazin-1-ylbenzoate;hydrochloride
InChI:
InChI=1S/C12H16N2O2.ClH/c1-16-12(15)10-4-2-3-5-11(10)14-8-6-13-7-9-14;/h2-5,13H,6-9H2,1H3;1H
InChI Key:
JLEQQBYYTSFLNJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1N1CCNCC1.Cl
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.098g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.73g/mol
Monoisotopic Mass:
256.098g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties