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100427-74-5 | Benzenemethanol, 4-amino-α-[(1-azabicyclo[2.2.2]oct-3-ylamino)methyl]-
CAS No: 100427-74-5 Catalog No: AG0001YS MDL No:
Product Description
Catalog Number:
AG0001YS
Chemical Name:
Benzenemethanol, 4-amino-α-[(1-azabicyclo[2.2.2]oct-3-ylamino)methyl]-
CAS Number:
100427-74-5
Molecular Formula:
C15H23N3O
Molecular Weight:
261.3626
IUPAC Name:
2-amino-1-(4-aminophenyl)-2-(2-bicyclo[2.2.1]heptanylamino)ethanol
InChI:
InChI=1S/C15H23N3O/c16-12-5-3-10(4-6-12)14(19)15(17)18-13-8-9-1-2-11(13)7-9/h3-6,9,11,13-15,18-19H,1-2,7-8,16-17H2
InChI Key:
ODBUBRKBHJIZHO-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)N)CNC1CN2CCC1CC2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.184g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
261.369g/mol
Monoisotopic Mass:
261.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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