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N-Methyl-L-tryptophan

N-Methyl-L-tryptophan structure

CAS No:
526-31-8
Formula:
C12H14N2O2
Chemical Name:
N-Methyl-L-tryptophan
Synonyms:
L-Tryptophan,N-methyl-;Tryptophan,N-methyl-,L-;N-Methyl-L-tryptophan;L-Abrine;N-Methyltryptophan;Abrine;Abrine (amino acid);L-N-Methyltryptophan;N-α-Methyl-L-tryptophan;L-(+)-Abrine;(S)-3-(1H-Indol-3-yl)-2-methylaminopropionic acid;NPLC 0233;(2S)-3-(1H-Indol-3-yl)-2-(methylazaniumyl)propanoate;642-85-3
Categories:
Specialty Chemicals

Description

L-(+)-Abrine, a lethal albumin found in Abrus precatorius seeds, is an acute toxic alkaloid and chemical marker for abrin.

N(alpha)-methyl-L-tryptophan is a N-methyl-L-alpha-amino acid that is the N(alpha)-methyl derivative of L-tryptophan. It has a role as an Escherichia coli metabolite. It is a L-tryptophan derivative and a N-methyl-L-alpha-amino acid. It is a tautomer of a N(alpha)-methyl-L-tryptophan zwitterion.

N-Methyl-L-tryptophan Basic Attributes

Molecular Weight：

218.252

Exact Mass：

218.25

EC Number：

208-388-5

UNII：

P57TWL22IX

HScode：

2933990090

Characteristics

PSA：

65.12000

XLogP3：

1.18

Appearance：

White powder

Density：

1.3±0.1 g/cm3

Melting Point：

289 °C (decomp)

Boiling Point：

439.1±35.0 °C at 760 mmHg

Flash Point：

219.4±25.9 °C

Refractive Index：

1.649

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S36

Marks：

Xn: Harmful;

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

Drug Information

MeSH Entry Terms：

abrine

Computed Properties

Molecular Weight:218.25
XLogP3:-0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:218.105527694
Monoisotopic Mass:218.105527694
Topological Polar Surface Area:65.1
Heavy Atom Count:16
Complexity:257
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes