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446831-28-3,MFCD03444416
Catalog No.:AA003I73
446831-28-3 | 3-(Piperazin-1-yl)benzoic acid
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250mg
>95%
in stock  
$78.00   $55.00
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1g
95%
in stock  
$156.00   $109.00
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5g
≥ 95% (NMR)
in stock  
$744.00   $521.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003I73
Chemical Name:
3-(Piperazin-1-yl)benzoic acid
CAS Number:
446831-28-3
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
MDL Number:
MFCD03444416
IUPAC Name:
3-piperazin-1-ylbenzoic acid
InChI:
InChI=1S/C11H14N2O2/c14-11(15)9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2,(H,14,15)
InChI Key:
GHDMVTUOLYXWCO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)N1CCNCC1
Properties
Computed Properties
 
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  

Synonyms
 
3-(PIPERAZIN-1-YL)BENZOIC ACID 
446831-28-3 
Oprea1_510166 
SCHEMBL117252 
3-Piperazin-1-yl-benzoic acid 
1-(3-Carboxyphenyl)-piperazine 
CTK4I8394 
DTXSID30375157 
Benzoic acid,3-(1-piperazinyl)- 
EBD31861 
ZINC4244933 
Benzoic acid, 3-(1-piperazinyl)- 
3-(1-Piperazinyl)benzoic acid 
ANW-63647 
MFCD03444416 
SBB068003 
AKOS000101189 
AB15441 
AC-2739 
RP26235 
RTC-064884 
TRA0085420 
AJ-49643 
1-(3-carboxyphenyl) piperazine 
AN-13690 
AS-31028 
SC-27627 
SY002774 
3-piperazin-1-yl-benzoic acid, AldrichCPR 
AB0065546 
TC-064884 
FT-0604287 
ST24041645 
S-0197 
3-piperazin-1-ylbenzoic Acid 
MFCD03444416 (95+%) 
831P283 
AT-057/41429349 
I14-5418 
J-510932 
2-Methyl-2H-indazole-4-carbonitrile 
CID2760433 
A7098 
3-(Piperazin-1-yl)benzoic acid hydrochloride 
1187931-15-2 
3-(1-PIPERAZINYL)-BENZOIC ACID 
3-(1-Piperazinyl)benzoicacid 
PubChem12239 
3-piperazinylbenzoic acid 
AC1MC2O2 
Literature
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