Home Aminos 4-(2-(pyrrolidin-1-yl)ethylamino)benzoic acid

4-(2-(pyrrolidin-1-yl)ethylamino)benzoic acid

CAS No.:
1225863-00-2
Catalog Number:
AG01DKJA
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$82
- +
250mg
95%
In Stock USA
United States
$158
- +
Product Description
Catalog Number:
AG01DKJA
Chemical Name:
4-(2-(pyrrolidin-1-yl)ethylamino)benzoic acid
CAS Number:
1225863-00-2
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
MDL Number:
MFCD16470447
IUPAC Name:
4-(2-pyrrolidin-1-ylethylamino)benzoic acid
InChI:
InChI=1S/C13H18N2O2/c16-13(17)11-3-5-12(6-4-11)14-7-10-15-8-1-2-9-15/h3-6,14H,1-2,7-10H2,(H,16,17)
InChI Key:
NFWMREHNUPSZOQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)NCCN1CCCC1
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:
2  
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties