Home Other Building Blocks 1-Piperazineacetic acid, 4-(phenylmethyl)-

1-Piperazineacetic acid, 4-(phenylmethyl)-

CAS No.:
119929-87-2
Catalog Number:
AG000PVH
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
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Product Description
Catalog Number:
AG000PVH
Chemical Name:
1-Piperazineacetic acid, 4-(phenylmethyl)-
CAS Number:
119929-87-2
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
MDL Number:
MFCD05668053
IUPAC Name:
2-(4-benzylpiperazin-1-yl)acetic acid
InChI:
InChI=1S/C13H18N2O2/c16-13(17)11-15-8-6-14(7-9-15)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)
InChI Key:
FNCALUISHXHMND-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCN(CC1)Cc1ccccc1
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties