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Basic Information
CAS No.: 154-06-3
Name: 5-Methyl-L-tryptophan
Molecular Structure:
Molecular Structure of 154-06-3 (5-Methyl-L-tryptophan)
Formula: C12H14N2O2
Molecular Weight: 218.25200
Synonyms: 5-methyl-5-thiomethylhydantoin;DL-5-methyltryptophan;5-methyltryptophan;L-5-mercaptomethyl-5-methylhydantoin;L-5-methyltryptophane;L-5-methyltryptophan;
Density: 1.313g/cm3
Boiling Point: 455.1oC at 760 mmHg
Flash Point: 229.1oC
PSA: 79.11000
LogP: 2.13100
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Chemistry

Empirical Formula of 5-Methyltryptophan (CAS NO.154-06-3): C12H14N2O2
Molecular Weight: 218.2518 g/mol
Index of Refraction: 1.677
Density: 1.313 g/cm3
Flash Point: 229.1 °C
Enthalpy of Vaporization: 75.33 kJ/mol
Boiling Point: 455.1 °C at 760 mmHg
Vapour Pressure: 4.48E-09 mmHg at 25 °C
Structure of 5-Methyltryptophan (CAS NO.154-06-3):
                         
IUPAC Name: (2S)-2-Amino-3-(5-methyl-1H-indol-3-yl)propanoic acid
Canonical SMILES: CC1=CC2=C(C=C1)NC=C2CC(C(=O)O)N
Isomeric SMILES: CC1=CC2=C(C=C1)NC=C2C[C@@H](C(=O)O)N
InChI: InChI=1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKey: HUNCSWANZMJLPM-JTQLQIEISA-N

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition 5-Methyltryptophan (CAS NO.154-06-3) emits toxic fumes of NOx.

Specification

 5-Methyltryptophan , its cas register number is 154-06-3. It also can be called 5-Methyl-L-tryptophan- ; Tryptophan, 5-methyl-, L- (6CI,8CI) ; and L-5-Methyltryptophan .