Home Aminos 3-{[4-aminocyclohexyl]amino}-1,2-dihydroisoquinolin-1-one, trans

3-{[4-aminocyclohexyl]amino}-1,2-dihydroisoquinolin-1-one, trans

CAS No.:
2059914-34-8
Catalog Number:
AG01C0AN
Molecular Formula:
C15H19N3O
Molecular Weight:
257.3309
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Product Description
Catalog Number:
AG01C0AN
Chemical Name:
3-{[4-aminocyclohexyl]amino}-1,2-dihydroisoquinolin-1-one, trans
CAS Number:
2059914-34-8
Molecular Formula:
C15H19N3O
Molecular Weight:
257.3309
MDL Number:
MFCD30497903
IUPAC Name:
3-(4-aminocyclohexyl)imino-8aH-isoquinolin-1-one
InChI:
InChI=1S/C15H19N3O/c16-11-5-7-12(8-6-11)17-14-9-10-3-1-2-4-13(10)15(19)18-14/h1-4,9,11-13H,5-8,16H2,(H,17,18,19)
InChI Key:
SWUKEWXWIFDCRZ-UHFFFAOYSA-N
SMILES:
N[C@@H]1CC[C@H](CC1)Nc1cc2ccccc2c(=O)[nH]1
Properties
Complexity:
494  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.153g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.337g/mol
Monoisotopic Mass:
257.153g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties