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Piperazine-1-carboxylic acid benzylamide hydrochloride

CAS No.:
1153150-99-2
Catalog Number:
AG00HCZ5
Molecular Formula:
C12H18ClN3O
Molecular Weight:
255.7438
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Product Description
Catalog Number:
AG00HCZ5
Chemical Name:
Piperazine-1-carboxylic acid benzylamide hydrochloride
CAS Number:
1153150-99-2
Molecular Formula:
C12H18ClN3O
Molecular Weight:
255.7438
MDL Number:
MFCD08692486
IUPAC Name:
N-benzylpiperazine-1-carboxamide;hydrochloride
InChI:
InChI=1S/C12H17N3O.ClH/c16-12(15-8-6-13-7-9-15)14-10-11-4-2-1-3-5-11;/h1-5,13H,6-10H2,(H,14,16);1H
InChI Key:
YASPZEOFWKIMAU-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCC1)NCc1ccccc1.Cl
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.114g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
255.746g/mol
Monoisotopic Mass:
255.114g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties