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H-beta-Ala-beta-Ala-OH

CAT: 0572-TRC-I120108-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I120108-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2140-53-6
Synonyms
H-beta-Ala-beta-Ala-OH; β-Alanine, N-β-alanyl-; N-β-Alanyl-β-alanine; NSC 97926; β-Alanyl-β-alanine; 3-(3-Aminopropanamido)propanoic Acid
Hazard Statement
No Data Available
Smiles
NCCC(=O)NCCC(=O)O
Molecular Formula
C6 H12 N2 O3
Molecular Weight
160.171
InChI
InChI=1S/C6H12N2O3/c7-3-1-5(9)8-4-2-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)
Additionnal Information
IUPAC name: 3-(3-aminopropanoylamino)propanoic acid
Shipping Conditions
Room Temperature

Chemical Information

3-(3-Aminopropanoylamino)propanoic acid
CAS Number2140-53-6
PubChem CID263465
IUPAC Name3-(3-aminopropanoylamino)propanoic acid
Molecular FormulaC6H12N2O3
Molecular Weight160.17
XLogP-4.2
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity147
SMILES
C(CN)C(=O)NCCC(=O)O
InChI
InChI=1S/C6H12N2O3/c7-3-1-5(9)8-4-2-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)
InChIKey
DWCSTCCKNZMDHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-Aminopropanoylamino)propanoic acid
CAS: 2140-53-6
CID: 263465
Formula: C6H12N2O3
MW: 160.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.17
XLogP3-4.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass160.08479225
Monoisotopic Mass160.08479225
Topological Polar Surface Area92.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity147
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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