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o-Anisidine-d3

CAT: 0572-TRC-A673523-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A673523-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1398066-00-6
Hazard Statement
Toxic if swallowed; UN number: UN2431; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])Oc1ccccc1N
Molecular Formula
C7 D3 H6 N O
Molecular Weight
126.17
InChI
InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3/i1D3
Additionnal Information
IUPAC name: 2-(trideuteriomethoxy)aniline
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

o-Anisidine-d3
CAS Number1398066-00-6
PubChem CID102565202
IUPAC Name2-(trideuteriomethoxy)aniline
Molecular FormulaC7H9NO
Molecular Weight126.17
XLogP1.2
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity85
SMILES
[2H]C([2H])([2H])OC1=CC=CC=C1N
InChI
InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3/i1D3
InChIKey
VMPITZXILSNTON-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of o-Anisidine-d3
CAS: 1398066-00-6
CID: 102565202
Formula: C7H9NO
MW: 126.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.17
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass126.087244148
Monoisotopic Mass126.087244148
Topological Polar Surface Area35.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity85
Isotope Atom Count3
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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