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Home Other Building Blocks 15962-47-7
15962-47-7,MFCD00080821
Catalog No.:AA001R66

15962-47-7 | Ac-ala-nh2

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1g
≥ 99% (Assay)
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$109.00   $77.00
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5g
≥ 99% (Assay)
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$383.00   $268.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001R66
Chemical Name:
Ac-ala-nh2
CAS Number:
15962-47-7
Molecular Formula:
C5H10N2O2
Molecular Weight:
130.1451
MDL Number:
MFCD00080821
SMILES:
CC(=O)N[C@H](C(=O)N)C
Properties
Computed Properties
 
Complexity:
133  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
-1.5  

Downstream Synthesis Route

[1]Nathanael,JosesG.;Wille,Uta[JournalofOrganicChemistry,2019,vol.84,#6,p.3405-3418]

[2]Matsuo,H.etal.[Chemicalandpharmaceuticalbulletin,1967,vol.15,p.391-398]

[1]Kent,HilaryE.;Lilley,TerenceH.;Milburn,PeterJ.;Bloemendal,Michael;Somsen,Gus[JournalofSolutionChemistry,1985,vol.14,#2,p.101-116]

[1]Blackburn,G.Michael;Lilley,TerenceH.;Walmsley,Elizabeth[JournaloftheChemicalSociety,FaradayTransactions1:PhysicalChemistryinCondensedPhases,1980,vol.76,p.915-922]

15962-47-7   
C5H9N2O2 

[1]Nauser,Thomas;Schoeneich,Christian[JournaloftheAmericanChemicalSociety,2003,vol.125,#8,p.2042-2043]

Literature

Title: Characterization of the conformational probability of N-acetyl-phenylalanyl-NH2 by RHF, DFT, and MP2 computation and AIM analyses, confirmed by jet-cooled infrared data.

Journal: The journal of physical chemistry. A 20050623

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SDS
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