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1082279-12-6 | 4-Aminomethyl-1-(3-methoxy-phenyl)-pyrrolidin-2-one
CAS No: 1082279-12-6 Catalog No: AG01F8NU MDL No:
Product Description
Catalog Number:
AG01F8NU
Chemical Name:
4-Aminomethyl-1-(3-methoxy-phenyl)-pyrrolidin-2-one
CAS Number:
1082279-12-6
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
4-(aminomethyl)-1-(3-methoxyphenyl)pyrrolidin-2-one
InChI:
InChI=1S/C12H16N2O2/c1-16-11-4-2-3-10(6-11)14-8-9(7-13)5-12(14)15/h2-4,6,9H,5,7-8,13H2,1H3
InChI Key:
FVXAEMBHHJCAHJ-UHFFFAOYSA-N
SMILES:
NCC1CC(=O)N(C1)c1cccc(c1)OC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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