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26919-42-6,MFCD00188062
Catalog No.:AA003ILJ
26919-42-6 | 3,5-Dimethyl-1-adamantanemethanol
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1g
>98.0%(GC)
1 week  
$68.00   $48.00
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5g
>98.0%(GC)
1 week  
$204.00   $143.00
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Technical Information
Catalog Number:
AA003ILJ
Chemical Name:
3,5-Dimethyl-1-adamantanemethanol
CAS Number:
26919-42-6
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
MDL Number:
MFCD00188062
IUPAC Name:
(3,5-dimethyl-1-adamantyl)methanol
InChI:
InChI=1S/C13H22O/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)9-14/h10,14H,3-9H2,1-2H3
InChI Key:
RVWLWJAOIBEWAV-UHFFFAOYSA-N
SMILES:
OCC12CC3CC(C2)(CC(C1)(C3)C)C
Properties
Computed Properties
 
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
26919-42-6 
(3,5-Dimethyladamantan-1-yl)methanol 
SCHEMBL3160856 
CTK4F8741 
DTXSID30398780 
HMS1786N04 
(3,5-dimethyl-1-adamantyl)methanol 
(3,5-dimethyladamant-1-yl)methanol 
ANW-26084 
SBB071403 
AKOS001056900 
AKOS016311691 
3,5-Dimethyl-1-adamantanemethanol 
3,5-dimethyl-1-hydroxymethyladamantane 
CD-1828 
MCULE-5014164456 
TRA0006469 
KS-0000154C 
1-(Hydroxymethyl)-3,5-dimethyladamantane 
ST088121 
TR-012124 
D3367 
I14-9390 
RVWLWJAOIBEWAV-UHFFFAOYSA-N 
J-016607 
Z56853712 
((1r,3R,5S,7r)-3,5-dimethyladamantan-1-yl)methanol 
F3095-4894 
Tricyclo[3.3.1.13,7]decane-1-methanol,3,5-dimethyl- 
3,5-Dimethyladamantane-1-methanol 
ZINC01297859 
CID4050097 
10244-24-3 
MFCD00188062 
3,5-Dimethyl(1-hydroxymethyl)adamantane 
Tricyclo[3.3.1.13,7]decane-1-methanol, 3,5-dimethyl- 
(3,5-dimethyladamantanyl)methan-1-ol 
AC1N2NVO 
ACMC-1CFE2 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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