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1-Butan-d9-ol

CAT: 0572-TRC-B689972-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B689972-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25493-17-8
Hazard Statement
No Data Available; UN number: UN1120; Packing Group: III
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O
Molecular Formula
C4 2H9 H O
Molecular Weight
83.18
InChI
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1D3,2D2,3D2,4D2
Additionnal Information
IUPAC name: 1,1,2,2,3,3,4,4,4-nonadeuteriobutan-1-ol
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

(~2~H_9_)Butan-1-ol
CAS Number25493-17-8
PubChem CID54048623
IUPAC Name1,1,2,2,3,3,4,4,4-nonadeuteriobutan-1-ol
Molecular FormulaC4H10O
Molecular Weight83.18
XLogP0.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count5
Formal Charge0
Complexity13
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O
InChI
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1D3,2D2,3D2,4D2
InChIKey
LRHPLDYGYMQRHN-YNSOAAEFSA-N
Chemical Structure
2D Structure
2D structure of (~2~H_9_)Butan-1-ol
CAS: 25493-17-8
CID: 54048623
Formula: C4H10O
MW: 83.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight83.18
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass83.129655652
Monoisotopic Mass83.129655652
Topological Polar Surface Area20.2 Ų
Heavy Atom Count5
Formal Charge0
Complexity13.1
Isotope Atom Count9
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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