CAS 1948-31-8|H-Ala-Ala-OH

Introduction:Basic information about CAS 1948-31-8|H-Ala-Ala-OH, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameH-Ala-Ala-OH
CAS Number1948-31-8Molecular Weight160.17100
Density1.208 g/cm3Boiling Point402.6ºC at 760 mmHg
Molecular FormulaC6H12N2O3Melting Point280-285 °C(lit.)
MSDSChineseUSAFlash Point197.3ºC

Names

NameL-alanyl-L-alanine
SynonymMore Synonyms

Chemical & Physical Properties

Density1.208 g/cm3
Boiling Point402.6ºC at 760 mmHg
Melting Point280-285 °C(lit.)
Molecular FormulaC6H12N2O3
Molecular Weight160.17100
Flash Point197.3ºC
Exact Mass160.08500
PSA92.42000
LogP0.01410
Vapour Pressure1.31E-07mmHg at 25°C
Index of Refraction1.4771 (30ºC)
InChIKeyDEFJQIDDEAULHB-IMJSIDKUSA-N
SMILESCC(N)C(=O)NC(C)C(=O)O
Storage condition-15°C
StabilityStable. Incompatible with strong oxidizing agents.
Water SolubilityH2O: 0.1 g/mL, clear

Safety Information

Safety PhrasesS24/25
RIDADRNONH for all modes of transport
WGK Germany3
HS Code2924199090

Customs

HS Code2924199090
Summary2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles33

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Infrared spectroscopy of the alanine dipeptide analog in liquid water with DFT-MD. Direct evidence for P(II)/beta conformations.

Phys. Chem. Chem. Phys. 12 , 10198-10209, (2010)

Following our previous work [J. Phys. Chem. B. Lett., 2009, 113, 10059], DFT-based molecular dynamics (DFTMD) simulations of 2-Ala peptide (i.e. Ac-Ala-NHMe dialanine peptide analog with methyl group ...

Synonyms

Alanyl-alanine
Ala-ala
EINECS 217-751-7
(S)-2-((S)-2-Aminopropanamido)propanoic acid
N-L-Alanyl-L-alanine
L-Ala-L-Ala
L-alanyl-alanine
MFCD00008075
H-L-Ala-L-Ala-OH
(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid
H-β-Ala-β-Ala-OH
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