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89042-71-7 | 2-Pyrrolidinone, 1-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-
CAS No: 89042-71-7 Catalog No: AG0043BC MDL No:
Product Description
Catalog Number:
AG0043BC
Chemical Name:
2-Pyrrolidinone, 1-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-
CAS Number:
89042-71-7
Molecular Formula:
C17H26N2O3
Molecular Weight:
306.3999
IUPAC Name:
1-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
InChI:
InChI=1S/C17H26N2O3/c1-21-15-7-6-14(13-16(15)22-2)8-10-18-9-4-12-19-11-3-5-17(19)20/h6-7,13,18H,3-5,8-12H2,1-2H3
InChI Key:
GRHZVHVYIHVSQP-UHFFFAOYSA-N
SMILES:
COc1cc(CCNCCCN2CCCC2=O)ccc1OC
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.194g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.406g/mol
Monoisotopic Mass:
306.194g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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