ChemicalBook--->CAS DataBase List--->13433-09-5

13433-09-5

13433-09-5 Structure

13433-09-5 Structure
IdentificationBack Directory
[Name]

H-ASP-PHE-OH
[CAS]

13433-09-5
[Synonyms]

ASP-PHE
Asp-Phe-OH
Asp-Phe 96%
H-ASP-PHE-OH
ASPARTAME ACID
L-Asp-L-Phe-OH
L-αAsp-L-Phe-OH
ALPHA-L-ASP-PHE
N-αAsp-L-Phe-OH
DeMethylaspartaMe
ThiaMine IMpurity B
AspartaMe IMpurity B
aspartyl-phenylalanine
Aspartame EP Impurity B
GASTRIN 16-17 DEAMINATED
L-ASPARTYL-L-PHENYLALANINE
N-(α-Aspartyl)-L-phenylalanine
N-L-α-Aspartyl-L-phenylalanine
L-Aspartyl-L-phenylalanine,95%
L-ASPARTIC ACID-L-PHENYLALANINE
L-ALPHA-ASPARTYL-L-PHENYLALANINE
N-L-ALPHA-ASPARTYL-L-PHENYLALANINE
N-L-alpha-aspartyl-3-phenyl-L-alanine
L-Aspartyl-L-phenylalanine, 95% 100MG
L-Aspartyl-L-phenylalanine, Aspartame acid
(S)-3-aMino-4-((S)-1-carboxy-2-phenylethylaMino)-4-oxobutanoic acid
(3S)-3-amino-3-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]propanoic acid
(S)-3-amino-4-(((S)-1-carboxyethyl)amino)-4-oxobutanoic acid compound with benzaldehyde (1:1)
[EINECS(EC#)]

236-557-3
[Molecular Formula]

C13H16N2O5
[MDL Number]

MFCD00063155
[MOL File]

13433-09-5.mol
[Molecular Weight]

280.28
Chemical PropertiesBack Directory
[Appearance]

white powder
[Melting point ]

236-239 °C(lit.)
[Boiling point ]

423°C (rough estimate)
[density ]

1.2419 (rough estimate)
[refractive index ]

1.6450 (estimate)
[storage temp. ]

−20°C
[solubility ]

DMSO:5.0(Max Conc. mg/mL);17.84(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:2):0.3(Max Conc. mg/mL);1.07(Max Conc. mM)
[form ]

Powder
[pka]

3.35±0.10(Predicted)
[color ]

Off-white to yellow to beige to orange to tan
[Optical Rotation]

[α]20/D +12.5°, c = 1 in 0.5 M HCl
[BRN ]

2817528
[Major Application]

peptide synthesis
[InChI]

InChI=1/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/s3
[InChIKey]

YZQCXOFQZKCETR-DPIMBTEZNA-N
[SMILES]

C1(=CC=CC=C1)C[C@@H](C(=O)O)NC(=O)[C@@H](N)CC(=O)O |&1:7,14,r|
Hazard InformationBack Directory
[Chemical Properties]

white powder
[Uses]

L-Aspartyl-L-phenylalanine is an impurity of Thiamine (T344185). Thiamine Impurity B.
[Definition]

ChEBI: A dipeptide formed from L-alpha-aspartyl and L-phenylalanine residues. It is obtained after the hydrolysis of aspartame in intestinal lumen.
[reaction suitability]

reaction type: solution phase peptide synthesis
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P271-P280
[Safety Statements ]

24/25
[WGK Germany ]

3
[HS Code ]

29242990
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

H-ASP-PHE-OH(13433-09-5)IR
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