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5260-28-6 | (1S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane dihydroiodide
CAS No: 5260-28-6 Catalog No: AG00DKP1 MDL No:
Product Description
Catalog Number:
AG00DKP1
Chemical Name:
(1S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane dihydroiodide
CAS Number:
5260-28-6
IUPAC Name:
(1S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;dihydroiodide
InChI:
InChI=1S/C12H16N2.2HI/c1-2-4-10(5-3-1)8-14-9-11-6-12(14)7-13-11;;/h1-5,11-13H,6-9H2;2*1H/t11?,12-;;/m0../s1
InChI Key:
KUEIYCASAUDQII-ZFYUWLNGSA-N
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
443.956g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
444.099g/mol
Monoisotopic Mass:
443.956g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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