Home Other Building Blocks Ac-ala-nh2

Ac-ala-nh2

CAS No.:
15962-47-7
Catalog Number:
AG001R8Y
Molecular Formula:
C5H10N2O2
Molecular Weight:
130.1451
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Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 99% (TLC)
1 week
United States
$76
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Product Description
Catalog Number:
AG001R8Y
Chemical Name:
Ac-ala-nh2
CAS Number:
15962-47-7
Molecular Formula:
C5H10N2O2
Molecular Weight:
130.1451
MDL Number:
MFCD00080821
IUPAC Name:
(2S)-2-acetamidopropanamide
InChI:
InChI=1S/C5H10N2O2/c1-3(5(6)9)7-4(2)8/h3H,1-2H3,(H2,6,9)(H,7,8)/t3-/m0/s1
InChI Key:
DVOVBGJJSFSOPZ-VKHMYHEASA-N
SMILES:
CC(=O)N[C@H](C(=O)N)C
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
130.074g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
130.147g/mol
Monoisotopic Mass:
130.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  
Literature
Title Journal
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. The journal of physical chemistry. A 20050623
Properties