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Home > Imidazoles > 1173050-17-3
1173050-17-3 | 1H-Imidazo[1,2-a]imidazole, 2,6-bis(1,1-dimethylethyl)-2,3,5,6-tetrahydro-, hydriodide (1:1), (2S,6S)-
CAS No: 1173050-17-3 Catalog No: AG000E3A MDL No:MFCD23103929
Product Description
Catalog Number:
AG000E3A
Chemical Name:
1H-Imidazo[1,2-a]imidazole, 2,6-bis(1,1-dimethylethyl)-2,3,5,6-tetrahydro-, hydriodide (1:1), (2S,6S)-
CAS Number:
1173050-17-3
Molecular Formula:
C13H26IN3
Molecular Weight:
351.2701
MDL Number:
MFCD23103929
IUPAC Name:
(2S,6S)-2,6-ditert-butyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]imidazol-4-ium;iodide
InChI:
InChI=1S/C13H25N3.HI/c1-12(2,3)9-7-16-8-10(13(4,5)6)15-11(16)14-9;/h9-10H,7-8H2,1-6H3,(H,14,15);1H/t9-,10-;/m1./s1
InChI Key:
WUQJZPODVWGKFI-DHTOPLTISA-N
SMILES:
CC([C@@H]1NC2=N[C@H](CN2C1)C(C)(C)C)(C)C.I
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
351.117g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.276g/mol
Monoisotopic Mass:
351.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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