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877773-38-1 | S,S-2,6-bis(1,1-diMethylethyl)-2,3,5,6-tetrahydro-1H-IMidazo[1,2-a]iMidazole
CAS No: 877773-38-1 Catalog No: AG00GU69 MDL No:MFCD22690898
Product Description
Catalog Number:
AG00GU69
Chemical Name:
S,S-2,6-bis(1,1-diMethylethyl)-2,3,5,6-tetrahydro-1H-IMidazo[1,2-a]iMidazole
CAS Number:
877773-38-1
Molecular Formula:
C13H25N3
Molecular Weight:
223.3577
MDL Number:
MFCD22690898
IUPAC Name:
(2S,6S)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
InChI:
InChI=1S/C13H25N3/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)/t9-,10-/m1/s1
InChI Key:
NHPAGFYCHIPMCC-NXEZZACHSA-N
SMILES:
CC([C@@H]1NC2=N[C@H](CN2C1)C(C)(C)C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
223.205g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.364g/mol
Monoisotopic Mass:
223.205g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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