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2,6-Dimethylaniline-d9

CAT: 0572-TRC-D462198-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D462198-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1021325-45-0
Hazard Statement
Harmful if swallowed; UN number: UN1711; Packing Group: II
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c(c(N)c(c1[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]
Molecular Formula
C8 D9 H2 N
Molecular Weight
130.24
InChI
InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3/i1D3,2D3,3D,4D,5D
Additionnal Information
IUPAC name: 3,4,5-trideuterio-2,6-bis(trideuteriomethyl)aniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,6-Dimethylaniline-d9
CAS Number1021325-45-0
PubChem CID101457546
IUPAC Name3,4,5-trideuterio-2,6-bis(trideuteriomethyl)aniline
Molecular FormulaC8H11N
Molecular Weight130.23
XLogP1.8
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity80
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C([2H])([2H])[2H])N)C([2H])([2H])[2H])[2H]
InChI
InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3/i1D3,2D3,3D,4D,5D
InChIKey
UFFBMTHBGFGIHF-XVGWXEQOSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dimethylaniline-d9
CAS: 1021325-45-0
CID: 101457546
Formula: C8H11N
MW: 130.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.23
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass130.145640069
Monoisotopic Mass130.145640069
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity80.6
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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