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DL-Alanine-2-d1

CAT: 0804-HY-W141853Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W141853Size:10 mg
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Description
DL-Alanine-2-d1 is the deuterium labeled DL-Alanine-2[1].
CAS Number
31024-91-6
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Isotope-Labeled Compounds
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
NC(C)([2H])C(O)=O
Molecular Formula
C3H6DNO2
Molecular Weight
90.10
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

DL-Alanine-2-D1
CAS Number31024-91-6
PubChem CID16213420
IUPAC Name2-amino-2-deuteriopropanoic acid
Molecular FormulaC3H7NO2
Molecular Weight90.10
XLogP-3
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity61
SMILES
[2H]C(C)(C(=O)O)N
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/i2D
InChIKey
QNAYBMKLOCPYGJ-VMNATFBRSA-N
Chemical Structure
2D Structure
2D structure of DL-Alanine-2-D1
CAS: 31024-91-6
CID: 16213420
Formula: C3H7NO2
MW: 90.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight90.10
XLogP3-3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass90.053955212
Monoisotopic Mass90.053955212
Topological Polar Surface Area63.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity61.8
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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