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3- (2-Hydroxyethylamino) Propionic Acid

CAT: 1596-AR-P32946-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P32946-01Size:10 Units
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CAS Number
5458-99-1
Molecular Formula
C5H11NO3
Molecular Weight
133.15
API Name
Propionic acid

Chemical Information

N-(2-hydroxyethyl)-beta-alanine

N-(2-hydroxyethyl)-beta-alanine is a beta-alanine derivative that is propanoic acid in which one of the methyl hydrogens at position 3 is replaced by a (2-hydroxyethyl)nitrilo group. It is a primary alcohol, a beta-alanine derivative and a secondary amino compound. It is functionally related to a beta-alanine.

CAS Number5458-99-1
PubChem CID222905
IUPAC Name3-(2-hydroxyethylamino)propanoic acid
Molecular FormulaC5H11NO3
Molecular Weight133.15
XLogP-3.7
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity84
SMILES
C(CNCCO)C(=O)O
InChI
InChI=1S/C5H11NO3/c7-4-3-6-2-1-5(8)9/h6-7H,1-4H2,(H,8,9)
InChIKey
PPDDDJFBMYJHBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-hydroxyethyl)-beta-alanine
CAS: 5458-99-1
CID: 222905
Formula: C5H11NO3
MW: 133.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.15
XLogP3-3.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass133.07389321
Monoisotopic Mass133.07389321
Topological Polar Surface Area69.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity84.3
Isotope Atom Count0
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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