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2-Butanol-d3

CAT: 0572-TRC-B689897-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B689897-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53716-61-3
Synonyms
sec-Butyl-2',2',2'-d3 Alcohol; 2-Butan-1,1,1-d3-ol; 2-Butan-1,1,1-d3-ol (9CI); sec-Butyl-2',2',2'-d3 alcohol (6CI); 1,1,1-Trideuteriobutan-2-ol; (±)-sec-Butyl-1,1,1-d3 alcohol; 2-Butanol-d3; Butan-2-ol-1,1,1-D3
Hazard Statement
Flammable liquid and vapour; UN number: UN1120; Packing Group: III
Purity
>95% (GC)
Smiles
[2H]C([2H])([2H])C(O)CC
Molecular Formula
C4 D3 H7 O
Molecular Weight
77.14
InChI
InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/i2D3
Additionnal Information
IUPAC name: 1,1,1-trideuteriobutan-2-ol
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

2-Butanol-d3
CAS Number53716-61-3
PubChem CID118856065
IUPAC Name1,1,1-trideuteriobutan-2-ol
Molecular FormulaC4H10O
Molecular Weight77.14
XLogP0.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity19
SMILES
[2H]C([2H])([2H])C(CC)O
InChI
InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/i2D3
InChIKey
BTANRVKWQNVYAZ-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of 2-Butanol-d3
CAS: 53716-61-3
CID: 118856065
Formula: C4H10O
MW: 77.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight77.14
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass77.091995176
Monoisotopic Mass77.091995176
Topological Polar Surface Area20.2 Ų
Heavy Atom Count5
Formal Charge0
Complexity19.6
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
DCA71661-012-Butanol-d3
426775-013,3-Dimethyl-2-butanol-d3
010284(2R) -2,3-Dimethyl-1-butanol-d3
MBS6070012-01(2R)-2,3-Dimethyl-1-butanol-d3
416412-01(+) -2-Butanol
416411-012-Butanol
OR304038-01(R) - (-) -2-Butanol
267023-01S- (+) -2-Butanol
61686152R) - (-) -2-Butanol
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