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139329-66-1 | 1-Piperazinebutanoic acid, 4-[(4-chlorophenyl)phenylmethyl]-
CAS No: 139329-66-1 Catalog No: AG001ARN MDL No:
Product Description
Catalog Number:
AG001ARN
Chemical Name:
1-Piperazinebutanoic acid, 4-[(4-chlorophenyl)phenylmethyl]-
CAS Number:
139329-66-1
Molecular Formula:
C21H25ClN2O2
Molecular Weight:
372.8884
IUPAC Name:
4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid
InChI:
InChI=1S/C21H25ClN2O2/c22-19-10-8-18(9-11-19)21(17-5-2-1-3-6-17)24-15-13-23(14-16-24)12-4-7-20(25)26/h1-3,5-6,8-11,21H,4,7,12-16H2,(H,25,26)
InChI Key:
XBRKRZUQZJDDQO-UHFFFAOYSA-N
SMILES:
OC(=O)CCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.16g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.893g/mol
Monoisotopic Mass:
372.16g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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