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Ammonium Acetate-d7

CAT: 0572-TRC-A633901-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A633901-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
194787-05-8
Synonyms
Acetic-d3 acid-d, ammonium-d4 salt (9CI); Ammonium-d4 acetate-d3; Ammonium acetate-d7; Ammonium acetate D7
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])C(=O)[O-].[2H][N+]([2H])([2H])[2H]
Molecular Formula
C2 D3 O2 . D4 N
Molecular Weight
84.126
InChI
InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3/i1D3;/hD4
Additionnal Information
IUPAC name: tetradeuterioazanium;2,2,2-trideuterioacetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(~2~H_4_)Acetic acid--(~2~H_3_)ammonia (1/1)

See also: Ammonium-d(4) acetate-d(3) (annotation moved to).

CAS Number194787-05-8
PubChem CID51341917
Molecular FormulaC2H7NO2
Molecular Weight84.13
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity31
SMILES
[2H]C([2H])([2H])C(=O)O[2H].[2H]N([2H])[2H]
InChI
InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3/i1D3;/hD4
InChIKey
USFZMSVCRYTOJT-KYWLLVRESA-N
Chemical Structure
2D Structure
2D structure of (~2~H_4_)Acetic acid--(~2~H_3_)ammonia (1/1)
CAS: 194787-05-8
CID: 51341917
Formula: C2H7NO2
MW: 84.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight84.13
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass84.091615688
Monoisotopic Mass84.091615688
Topological Polar Surface Area38.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity31
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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