Home Aminos 4-{[(3-fluorophenyl)methyl]amino}butanoic acid hydrochloride

4-{[(3-fluorophenyl)methyl]amino}butanoic acid hydrochloride

CAS No.:
1181458-22-9
Catalog Number:
AG019VGJ
Molecular Formula:
C11H15ClFNO2
Molecular Weight:
247.6937
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Product Description
Catalog Number:
AG019VGJ
Chemical Name:
4-{[(3-fluorophenyl)methyl]amino}butanoic acid hydrochloride
CAS Number:
1181458-22-9
Molecular Formula:
C11H15ClFNO2
Molecular Weight:
247.6937
MDL Number:
MFCD12197162
IUPAC Name:
4-[(3-fluorophenyl)methylamino]butanoic acid;hydrochloride
InChI:
InChI=1S/C11H14FNO2.ClH/c12-10-4-1-3-9(7-10)8-13-6-2-5-11(14)15;/h1,3-4,7,13H,2,5-6,8H2,(H,14,15);1H
InChI Key:
OAKHLBPOMZNDRQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNCc1cccc(c1)F.Cl
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.078g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
247.694g/mol
Monoisotopic Mass:
247.078g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties