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2-(4-Methylphenyl)propane-d14

CAT: 0572-TRC-C994106-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C994106-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93952-03-5
Synonyms
Benzene-1,2,4,5-d4, 3-(methyl-d3)-6-[1-(methyl-d3)ethyl-1,2,2,2-d4]- (9CI); 2-(4-Methylphenyl)propane-d14; 4-Isopropyltoluene D14; p-Cymene D14
Hazard Statement
Flammable liquid and vapour; UN number: UN2046; Packing Group: III
Smiles
[2H]c1c([2H])c(c([2H])c([2H])c1C([2H])([2H])[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Molecular Formula
C10 2H14
Molecular Weight
148.3
InChI
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3/i1D3,2D3,3D3,4D,5D,6D,7D,8D
Additionnal Information
IUPAC name: 1,2,4,5-tetradeuterio-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-(trideuteriomethyl)benzene
Shipping Conditions
Ice Packs
Storage Conditions
+4°C

Chemical Information

2-(4-Methylphenyl)propane-D14
CAS Number93952-03-5
PubChem CID90477649
IUPAC Name1,2,4,5-tetradeuterio-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-(trideuteriomethyl)benzene
Molecular FormulaC10H14
Molecular Weight148.30
XLogP4.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity86
SMILES
[2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H]
InChI
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3/i1D3,2D3,3D3,4D,5D,6D,7D,8D
InChIKey
HFPZCAJZSCWRBC-UYAILFBOSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Methylphenyl)propane-D14
CAS: 93952-03-5
CID: 90477649
Formula: C10H14
MW: 148.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.30
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass148.197424890
Monoisotopic Mass148.197424890
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity86.2
Isotope Atom Count14
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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Alternative Products

CatalogName
sc-251805A2,2-Bis (4-hydroxy-3-methylphenyl) propane
BKD16081-013- (4-Methylphenyl) propane-1,2-diamine dihydrochloride
PC81882- (2,4-Difluorophenoxy) propane
BMB18988-01N- (3-Amino-2-methylphenyl) propane-1-sulfonamide
DAA59436-011,3-Bis (4-methylphenyl) propane-1,3-dione
228985-011,1,1,3,3,3-Hexafluoro-2,2-bis (4-methylphenyl) propane
OR21754-014,4'- (Propane-2,2-diyl) dianiline
HY-150847S1,2,3,4-Tetramethylbenzene-d14
sc-4780392-Nitroprobenecid-d14
OR960092-014- (Propane-2-sulfonyl) aniline

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