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52448-15-4

52448-15-4 Structure

52448-15-4 Structure
IdentificationBack Directory
[Name]

(S)-2-AMINO-3-(5-CHLORO-1H-INDOL-3-YL)-PROPIONIC ACID
[CAS]

52448-15-4
[Synonyms]

L-5-CHLOROTRYPTOPHAN
5-CHLORO-L-TRYPTOPHAN
L-Tryptophan, 5-chloro-
(S)-2-Amino-3-(5-chloro-1H-indol-3-yl)propanoic acid
(2S)-2-amino-3-(5-chloro-1H-indol-3-yl)propanoic acid
(S)-2-AMINO-3-(5-CHLORO-1H-INDOL-3-YL)-PROPIONIC ACID
[Molecular Formula]

C11H11ClN2O2
[MDL Number]

MFCD06797629
[MOL File]

52448-15-4.mol
[Molecular Weight]

238.67
Chemical PropertiesBack Directory
[Melting point ]

272-275 °C
[Boiling point ]

476.9±45.0 °C(Predicted)
[density ]

1.474±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[solubility ]

Aqueous Acid (Slightly, Sonicated, Heated), Aqueous Base (Slightly)
[form ]

Solid
[pka]

2.21±0.10(Predicted)
[color ]

Pale Brown
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C11H11ClN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
[InChIKey]

TUKKZLIDCNWKIN-VIFPVBQESA-N
[SMILES]

C(O)(=O)[C@H](CC1C2=C(C=CC(Cl)=C2)NC=1)N
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
[HS Code ]

2933998090
Hazard InformationBack Directory
[Definition]

ChEBI: 5-chloro-L-tryptophan is a non-proteinogenic L-alpha-amino acid that is L-tryptophan in which the hydrogen at position 5 of the indole ring has been replaced by a chlorine. It is a non-proteinogenic L-alpha-amino acid, an organochlorine compound and a L-tryptophan derivative. It is a tautomer of a 5-chloro-L-tryptophan zwitterion.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-2-AMINO-3-(5-CHLORO-1H-INDOL-3-YL)-PROPIONIC ACID(52448-15-4)1HNMR
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