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917-92-0,MFCD00008852
Catalog No.:AA003IAE
917-92-0 | 3,3-Dimethyl-1-Butyne
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1g
1 week  
$147.00   $103.00
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5g
1 week  
$247.00   $173.00
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10g
1 week  
$299.00   $209.00
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25g
97%
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$311.00   $218.00
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100g
97%
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$611.00   $428.00
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500g
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$1,679.00   $1,175.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IAE
Chemical Name:
3,3-Dimethyl-1-Butyne
CAS Number:
917-92-0
Molecular Formula:
C6H10
Molecular Weight:
82.1436
MDL Number:
MFCD00008852
IUPAC Name:
3,3-dimethylbut-1-yne
InChI:
InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3
InChI Key:
PPWNCLVNXGCGAF-UHFFFAOYSA-N
SMILES:
C#CC(C)(C)C
EC Number:
213-035-3
Properties
Computed Properties
 
Complexity:
73.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
82.078g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
82.146g/mol
Monoisotopic Mass:
82.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
3,3-dimethyl-1-butyne 
t-butyl acetylene 
3,3,3-Trimethylpropyne 
MFCD00008852 
CHEMBL1908221 
3,3-Dimethyl-1-butyne, 98% 
PPWNCLVNXGCGAF-UHFFFAOYSA-N 
1-BUTYNE,3,3-DIMETHYL- 
3,3-Dimethylbutyne-1 
tertbutylacetylene 
tert-butylacetyiene 
EINECS 213-035-3 
3,3-Dimethyl-1-Butyne 
tert-butyl acetylene 
PubChem12530 
ACMC-209rdl 
AC1Q1LKA 
3.3-dimethyl-1-butyne 
3,3-dimethyl-but-l-yne 
2,2-dimethyl-but-3-yne 
3,3-dimethyl- 1-butyne 
3,3-dimethyl-but-1-yne 
EC 213-035-3 
917-92-0 
AC1L21VI 
AC1Q1LK9 
3, 3-dimethyl-but-1-yne 
KSC491I6L 
(CH3)3CC.$.CH 
CTK3J1465 
KS-00000WFZ 
DTXSID70238671 
ACT05303 
ZINC2040198 
tert-Butylacetylene 
ANW-39751 
BDBM50027798 
AKOS015841094 
MCULE-9881326433 
NE10621 
RP08555 
RTC-068770 
AN-47954 
CJ-32352 
SC-22664 
3,3-dimethylbut-1-yne 
DB-006265 
TC-068770 
TL8005878 
FT-0082801 
FT-0601139 
17D920 
60276-EP2292604A2 
60276-EP2308843A1 
A844068 
I14-0062 
t-Butylacetylene 
J-511081 
I14-19665 
InChI=1/C6H10/c1-5-6(2,3)4/h1H,2-4H 
F0001-2465 
CID13512 
C6-H10 
ACN-031804 
B1114 
1-Butyne, 3,3-dimethyl- (6CI, 8CI, 9CI) 
3,3-Dimethyl-1-butyne, 98% - 25ML 25ml 
3,3-DIMETHYLBUTYNE 
C489139 
1-Butyne, 3,3-dimethyl- 
t-butyl acetylene 
Literature

Title: Shock induced chemistry in liquids studied with ultrafast dynamic ellipsometry and visible transient absorption spectroscopy.

Journal: The journal of physical chemistry. A 20121025

Title: High-nuclearity silver ethynide clusters assembled with phosphonate and metavanadate precursors.

Journal: Angewandte Chemie (International ed. in English) 20120827

Title: Main-chain boron-containing oligophenylenes via ring-opening polymerization of 9-H-9-borafluorene.

Journal: Journal of the American Chemical Society 20110330

Title: Ditopic hydridoborates and hydridoboranes: bridging ligands in coordination polymers and versatile hydroboration reagents.

Journal: Dalton transactions (Cambridge, England : 2003) 20110321

Title: NbCl3-catalyzed intermolecular [2+2+2] cycloaddition of alkynes and alpha,omega-dienes: highly chemo- and regioselective formation of 5-omega-alkenyl-1,4-substituted-1,3-cyclohexadiene derivatives.

Journal: The Journal of organic chemistry 20100903

Title: Acid-induced surface functionalization of polyoxometalate by enclosure in a polyhedral silver-alkynyl cage.

Journal: Journal of the American Chemical Society 20091230

Title: Update on terbinafine with a focus on dermatophytoses.

Journal: Clinical, cosmetic and investigational dermatology 20090101

Title: A rational protocol for the synthesis of arylated bipyridine ligands via a cycloaddition pathway.

Journal: The Journal of organic chemistry 20071221

Title: Synthesis of highly soluble and oxidatively stable tetraceno[2,3-b]thiophenes and pentacenes.

Journal: The Journal of organic chemistry 20070817

Title: A new coupling reaction for the synthesis of ruthenium half-sandwich complexes with sterically demanding cyclopentadienyl ligands.

Journal: Chemical communications (Cambridge, England) 20070514

Title: Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.

Journal: Current drug metabolism 20051001

Title: P450 active site architecture and reversibility: inactivation of cytochromes P450 2B4 and 2B4 T302A by tert-butyl acetylenes.

Journal: Biochemistry 20050315

Title: Formation of a novel reversible cytochrome P450 spectral intermediate: role of threonine 303 in P450 2E1 inactivation.

Journal: Biochemistry 20040928

Title: Hydrosilylation of dienes by yttrium hydrido complexes containing a linked amido-cyclopentadienyl ligand.

Journal: Dalton transactions (Cambridge, England : 2003) 20040807

Title: Novel reversible inactivation of cytochrome P450 2E1 T303A by tert-butyl acetylene: the role of threonine 303 in proton delivery to the active site of cytochrome P450 2E1.

Journal: The Journal of pharmacology and experimental therapeutics 20040701

Title: Pd-catalyzed sulfinylzincation of activated alkynes with 1-alkynyl sulfoxides as a sulfinyl source.

Journal: The Journal of organic chemistry 20030711

Title: Mechanism-based inactivation of cytochromes P450 2E1 and 2E1 T303A by tert-butyl acetylenes: characterization of reactive intermediate adducts to the heme and apoprotein.

Journal: Chemical research in toxicology 20021201

Title: Cationic aluminum alkyl complexes incorporating aminotroponiminate ligands.

Journal: Journal of the American Chemical Society 20010829

Title: 19F NMR chemical shifts. 1. Aliphatic fluorides.

Journal: The Journal of organic chemistry 20010420

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