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215309-01-6,MFCD06742238
Catalog No.:AA003I2B
215309-01-6 | 3-(4-Methylpiperazin-1-yl)benzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95+%
in stock  
$20.00   $14.00
- +
1g
98%
in stock  
$50.00   $35.00
- +
5g
98%
in stock  
$149.00   $104.00
- +
10g
98%
in stock  
$272.00   $190.00
- +
25g
98%
in stock  
$635.00   $445.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003I2B
Chemical Name:
3-(4-Methylpiperazin-1-yl)benzoic acid
CAS Number:
215309-01-6
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD06742238
IUPAC Name:
3-(4-methylpiperazin-1-yl)benzoic acid
InChI:
InChI=1S/C12H16N2O2/c1-13-5-7-14(8-6-13)11-4-2-3-10(9-11)12(15)16/h2-4,9H,5-8H2,1H3,(H,15,16)
InChI Key:
HALATUFUWLWCQV-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

Synonyms
 
3-(4-Methylpiperazin-1-yl)benzoic acid 
215309-01-6 
SCHEMBL3319386 
Jsp004377 
CTK1A1761 
DTXSID40406300 
ZLD0314 
HALATUFUWLWCQV-UHFFFAOYSA-N 
(R)-1-FMOC-3-hydroxypyrrolidine 
ACT06187 
KS-00000CC2 
ZINC4271693 
3-(4-Methylpiperazin-1-yl)benzoicacid 
ZX-AT000250 
3-(4-methylpiperazinyl)benzoic acid 
ANW-24484 
CM-761 
MFCD06742238 
SBB063730 
3-(4-methylpiperazinyl)-benzoic acid 
AKOS003591746 
AC-2740 
CS-W003336 
Benzoicacid, 3-(4-methyl-1-piperazinyl)- 
FS-2412 
OR13862 
QC-9104 
RP05164 
RTR-010111 
TRA0063924 
VZ26032 
3-(4-Methyl-1-piperazinyl)benzoic acid 
ACM215309016 
AJ-49987 
AK-23661 
AN-13691 
BR-23661 
SC-12474 
SY002775 
AB0005731 
AX8019380 
DB-011095 
TL8006971 
TR-010111 
4CH-004263 
W-206640 
A4629 
FT-0649298 
ST24028309 
V0648 
B-7885 
MFCD06742238 (97+%) 
309M016 
I01-2753 
3- benzoicacid 
C12H16N2O2 
zlchem 853 
CID4741681 
3-(4-Methyl-piperazin-1-yl)-benzoic acid 
PubChem12997 
ACMC-209fli 
AC1NHL17 
Literature
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