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88069-70-9 | 1H-Pyrrolizine-7a(5H)-acetamide, N-(3,4-dimethylphenyl)tetrahydro-
CAS No: 88069-70-9 Catalog No: AG004EXF MDL No:
Product Description
Catalog Number:
AG004EXF
Chemical Name:
1H-Pyrrolizine-7a(5H)-acetamide, N-(3,4-dimethylphenyl)tetrahydro-
CAS Number:
88069-70-9
Molecular Formula:
C17H24N2O
Molecular Weight:
272.3853
IUPAC Name:
N-(3,4-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
InChI:
InChI=1S/C17H24N2O/c1-13-5-6-15(11-14(13)2)18-16(20)12-17-7-3-9-19(17)10-4-8-17/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,20)
InChI Key:
ZGAYDZCPGOIRNX-UHFFFAOYSA-N
SMILES:
O=C(CC12CCCN2CCC1)Nc1ccc(c(c1)C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.392g/mol
Monoisotopic Mass:
272.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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