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Home Other Building Blocks 3-(4-Methylpiperazin-1-ylmethyl)benzoic acid

3-(4-Methylpiperazin-1-ylmethyl)benzoic acid

CAS No.:
514209-42-8
Catalog Number:
AG00DAYI
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$100
- +
1g
95%
In Stock USA
United States
$221
- +
Product Description
Catalog Number:
AG00DAYI
Chemical Name:
3-(4-Methylpiperazin-1-ylmethyl)benzoic acid
CAS Number:
514209-42-8
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
MDL Number:
MFCD01202932
IUPAC Name:
3-[(4-methylpiperazin-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C13H18N2O2/c1-14-5-7-15(8-6-14)10-11-3-2-4-12(9-11)13(16)17/h2-4,9H,5-8,10H2,1H3,(H,16,17)
InChI Key:
SMSCFZLMSBEZQU-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1cccc(c1)C(=O)O
Properties
Complexity:
262  
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:
3  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties