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Home Aminos Pyrrolidine, 1-[3-(4-aminophenyl)-1-oxopropyl]-

Pyrrolidine, 1-[3-(4-aminophenyl)-1-oxopropyl]-

CAS No.:
168897-22-1
Catalog Number:
AG00HZ9C
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
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Product Description
Catalog Number:
AG00HZ9C
Chemical Name:
Pyrrolidine, 1-[3-(4-aminophenyl)-1-oxopropyl]-
CAS Number:
168897-22-1
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
MDL Number:
MFCD02625688
IUPAC Name:
3-(4-aminophenyl)-1-pyrrolidin-1-ylpropan-1-one
InChI:
InChI=1S/C13H18N2O/c14-12-6-3-11(4-7-12)5-8-13(16)15-9-1-2-10-15/h3-4,6-7H,1-2,5,8-10,14H2
InChI Key:
RPHIFDVKRFUWGW-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)CCc1ccc(cc1)N
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties