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o-Anisidine-d7

CAT: 0572-TRC-A673522-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A673522-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1219803-70-9
Synonyms
2-Methoxy-d3-aniline-d4; 2-Methoxy-d3-aniline-3,4,5,6-d4; 1-Amino-2-(methoxybenzene-d7); o-Anisidine-d7; 2-Methoxyaniline-D7 (methoxy-D3-3,4,5,6-D4); 2-Methoxyaniline-D7
Hazard Statement
Toxic if swallowed; UN number: UN2431; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c(OC([2H])([2H])[2H])c(N)c1[2H]
Molecular Formula
C7 2H7 H2 N O
Molecular Weight
130.2
InChI
InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3/i1D3,2D,3D,4D,5D
Additionnal Information
IUPAC name: 2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)aniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

o-Anisidine-d7

See also: 2-Methoxyaniline (annotation moved to).

CAS Number1219803-70-9
PubChem CID101751731
IUPAC Name2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)aniline
Molecular FormulaC7H9NO
Molecular Weight130.20
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]C1=C(C(=C(C(=C1[2H])N)OC([2H])([2H])[2H])[2H])[2H]
InChI
InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3/i1D3,2D,3D,4D,5D
InChIKey
VMPITZXILSNTON-AAYPNNLASA-N
Chemical Structure
2D Structure
2D structure of o-Anisidine-d7
CAS: 1219803-70-9
CID: 101751731
Formula: C7H9NO
MW: 130.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.20
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass130.112351132
Monoisotopic Mass130.112351132
Topological Polar Surface Area35.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity85
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes