Home Halogens 4-[(7-chloroquinolin-4-yl)amino]butanoic acid

4-[(7-chloroquinolin-4-yl)amino]butanoic acid

CAS No.:
874918-61-3
Catalog Number:
AG019N4C
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
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Product Description
Catalog Number:
AG019N4C
Chemical Name:
4-[(7-chloroquinolin-4-yl)amino]butanoic acid
CAS Number:
874918-61-3
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
MDL Number:
MFCD09948578
IUPAC Name:
4-[(7-chloroquinolin-4-yl)amino]butanoic acid
InChI:
InChI=1S/C13H13ClN2O2/c14-9-3-4-10-11(5-7-16-12(10)8-9)15-6-1-2-13(17)18/h3-5,7-8H,1-2,6H2,(H,15,16)(H,17,18)
InChI Key:
AMBJNYSPRIYZPR-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNc1ccnc2c1ccc(c2)Cl
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.067g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
264.709g/mol
Monoisotopic Mass:
264.067g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties