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88069-44-7 | 1H-Pyrrolizine-7a(5H)-acetamide, N-(2-aminophenyl)tetrahydro-
CAS No: 88069-44-7 Catalog No: AG004KQS MDL No:
Product Description
Catalog Number:
AG004KQS
Chemical Name:
1H-Pyrrolizine-7a(5H)-acetamide, N-(2-aminophenyl)tetrahydro-
CAS Number:
88069-44-7
Molecular Formula:
C15H21N3O
Molecular Weight:
259.3467
IUPAC Name:
N-(2-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
InChI:
InChI=1S/C15H21N3O/c16-12-5-1-2-6-13(12)17-14(19)11-15-7-3-9-18(15)10-4-8-15/h1-2,5-6H,3-4,7-11,16H2,(H,17,19)
InChI Key:
FROQYEDRFGEAFI-UHFFFAOYSA-N
SMILES:
O=C(CC12CCCN2CCC1)Nc1ccccc1N
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.353g/mol
Monoisotopic Mass:
259.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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