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Beta-Alanine-2,2,3,3-D4

CAT: 0572-TRC-A637322-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A637322-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116173-67-2
Synonyms
β-Alanine-2,2,3,3-d4 (9CI, ACI); β-Alanine-d4; β-Alanine-2,2,3,3-D4; 3-Aminopropanoic-2,2,3,3-d4 acid; 3-Aminopropionic-d4 acid
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(N)C([2H])([2H])C(=O)O
Molecular Formula
C3 D4 H3 N O2
Molecular Weight
93.118
InChI
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1D2,2D2
Additionnal Information
IUPAC name: 3-amino-2,2,3,3-tetradeuteriopropanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

beta-Alanine-2,2,3,3-d4

See also: Beta-Alanine (annotation moved to).

CAS Number116173-67-2
PubChem CID10844336
IUPAC Name3-amino-2,2,3,3-tetradeuteriopropanoic acid
Molecular FormulaC3H7NO2
Molecular Weight93.12
XLogP-3
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity52
SMILES
[2H]C([2H])(C(=O)O)C([2H])([2H])N
InChI
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1D2,2D2
InChIKey
UCMIRNVEIXFBKS-LNLMKGTHSA-N
Chemical Structure
2D Structure
2D structure of beta-Alanine-2,2,3,3-d4
CAS: 116173-67-2
CID: 10844336
Formula: C3H7NO2
MW: 93.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight93.12
XLogP3-3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass93.072785450
Monoisotopic Mass93.072785450
Topological Polar Surface Area63.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity52.8
Isotope Atom Count4
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
469650β-Alanine-2,2,3,3-D4
DE2163Alanine-2,3,3,3-D4
TMIJ-0101-01DL-Alanine-2,3,3,3-d4
TAA80629-01L-Alanine-2,3,3,3-d4
RG-E141286-01D-Alanine-2,3,3,3-D4
449733-01Ethyl β-Alanine-2,2,3,3-d4 Ester
CS-C-01152N-Acetyl-D-alanine-2,3,3,3-d4
CS-C-01138D-Alanine-2,3,3,3-d4-N-FMOC
457994-01N-Acetyl-L-alanine-2,3,3,3-d4
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