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(2-hydroxyethyl) alanine

CAT: 0127-OR1059584-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1059584-02Size:250 mg
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CAS Number
121307-72-0
Purity
98%
Smiles
CC(NCCO)C(O)=O

Chemical Information

(2-Hydroxyethyl)alanine
CAS Number121307-72-0
PubChem CID19816311
IUPAC Name2-(2-hydroxyethylamino)propanoic acid
Molecular FormulaC5H11NO3
Molecular Weight133.15
XLogP-3.2
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
CC(C(=O)O)NCCO
InChI
InChI=1S/C5H11NO3/c1-4(5(8)9)6-2-3-7/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKey
JOOSUPODUVRSRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Hydroxyethyl)alanine
CAS: 121307-72-0
CID: 19816311
Formula: C5H11NO3
MW: 133.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.15
XLogP3-3.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass133.07389321
Monoisotopic Mass133.07389321
Topological Polar Surface Area69.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.2
Isotope Atom Count0
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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