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526-31-8

526-31-8 Structure

526-31-8 Structure
IdentificationMore
[Name]

L-ABRINE
[CAS]

526-31-8
[Synonyms]

1-METHYL-L-TRYPTOPHAN
ABRINE
ABRINE, L-
H-METRP-OH
L-ABRINE
N ALPHA-METHYL-L(+)-TRYPTOPHAN
N-ALPHA-METHYL-L-TRYPTOPHAN
N-A-METHYL-L-TRYPTOPHAN
N-METHYL-L-TRYPTOPHAN
N-METHYL-L-TRYPTOPHANE HYDROCHLORIDE
N-METHYLTRYPTOPHAN
N-ME-TRP-OH
N-ME-TRP-OH HCL
N-ME-TRYPTOPHAN
N-alpha-Methyl-L-trytophan
(2S)-2-(Methylamino)-3-(1H-indole-3-yl)propanoic acid
(S)-3-(1H-Indol-3-yl)-2-(methylamino)propionic acid
[EINECS(EC#)]

208-388-5
[Molecular Formula]

C12H14N2O2
[MDL Number]

MFCD00005645
[Molecular Weight]

218.25
[MOL File]

526-31-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to light grey crystalline powder or crystals
[Melting point ]

>300 °C (dec.)(lit.)
[alpha ]

D21 +44° (0.28 g in 10 ml 0.5N HCl)
[Boiling point ]

358.94°C (rough estimate)
[density ]

1.272±0.06 g/cm3 (20 ºC 760 Torr)
[refractive index ]

65 ° (C=1, 0.5mol/L NaOH)
[storage temp. ]

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

H2O : 2 mg/mL (9.16 mM; ultrasonic and adjust pH to 10 with NaOH)
[form ]

Cryst.
[pka]

2.32±0.10(Predicted)
[color ]

Off-white to light yellow
[Optical Rotation]

[α]20/D +65°, c = 1 in 0.5 M NaOH
[Merck ]

10
[BRN ]

86638
[InChI]

InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1
[InChIKey]

CZCIKBSVHDNIDH-NSHDSACASA-N
[SMILES]

C(O)(=O)[C@H](CC1C2=C(C=CC=C2)NC=1)NC
[CAS DataBase Reference]

526-31-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29339900
Hazard InformationBack Directory
[Chemical Properties]

white to light grey crystalline powder or crystals
[Uses]

L-Abrine is an indoleamino acid that displays radical scavenging and antioxidant properties.
[Definition]

ChEBI: A N-methyl-L-alpha-amino acid that is the Nalpha-methyl derivative of L-tryptophan.
[reaction suitability]

reaction type: solution phase peptide synthesis
[Biochem/physiol Actions]

An indoleamino acid that shows radical scavenging and antioxidant properties in vitro.
[Purification Methods]

Crystallise L-abrine from H2O or EtOH/H2O mixture and dry it for 2days at 60o in high vacuum; it has m 275-290o(dec with browning at 230o) and [] D +47.2o (c 2, 0.5N HCl) [Peter et al. Helv Chim Acta 46 577 1963]. [Gregory & Morley J Chem Soc 913 1968, Beilstein 22/14 V 40.]
Spectrum DetailBack Directory
[Spectrum Detail]

L-ABRINE(526-31-8)MS
L-ABRINE(526-31-8)IR1
L-ABRINE(526-31-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-Methyl-L-tryptophan, 99%(526-31-8)
[Sigma Aldrich]

526-31-8(sigmaaldrich)
[TCI AMERICA]

L-Abrine,>98.0%(LC)(T)(526-31-8)
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