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B-Alanine 99% For Biochemistry

CAT: 1507-00085 00100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1507-00085 00100Size:100 mg
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CAS Number
107-95-9

Chemical Information

Beta-Alanine

Beta-alanine is a naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position. It has a role as a neurotransmitter, an inhibitor, an agonist, a human metabolite and a fundamental metabolite. It is a conjugate acid of a beta-alaninate. It is a tautomer of a beta-alanine zwitterion.

CAS Number107-95-9
PubChem CID239
IUPAC Name3-aminopropanoic acid
Molecular FormulaC3H7NO2
Molecular Weight89.09
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
C(CN)C(=O)O
InChI
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChIKey
UCMIRNVEIXFBKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Beta-Alanine
CAS: 107-95-9
CID: 239
Formula: C3H7NO2
MW: 89.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight89.09
XLogP3-3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass89.047678466
Monoisotopic Mass89.047678466
Topological Polar Surface Area63.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity52.8
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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