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| CAS No.: | 526-31-8 |
|---|---|
| Name: | L-ABRINE |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H14 N2 O2 |
| Molecular Weight: | 218.255 |
| Synonyms: | Tryptophan,N-methyl-, L- (6CI,7CI,8CI); (S)-3-(1H-Indol-3-yl)-2-methylaminopropionic acid;Abrine; Abrine (amino acid); L-(+)-Abrine; L-Abrine; L-N-Methyltryptophan;N-Methyl-L-tryptophan; N-Methyltryptophan; N-a-Methyl-L-tryptophan |
| EINECS: | 208-388-5 |
| Density: | 1.272 g/cm3 |
| Melting Point: | >300 °C (dec.)(lit.) |
| Boiling Point: | 439.1 °C at 760 mmHg |
| Flash Point: | 219.4 °C |
| Appearance: | White powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22 |
| Safety: | 36 |
| PSA: | 65.12000 |
| LogP: | 1.77390 |
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Chemistry
Molecule structure of L-Tryptophan, N-methyl- (CAS NO.526-31-8):
IUPAC Name: (2S)-3-(1H-Indol-3-yl)-2-(methylamino)propanoic acid
Molecular Weight: 218.25176 [g/mol]
Molecular Formula: C12H14N2O2
XLogP3: -0.5
H-Bond Donor: 3
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 218.105528
MonoIsotopic Mass: 218.105528
Topological Polar Surface Area: 65.1
Heavy Atom Count: 16
Index of Refraction: 1.648
Molar Refractivity: 62.46 cm3
Molar Volume: 171.5 cm3
Surface Tension: 58.3 dyne/cm
Density: 1.272 g/cm3
Melting Point: >300 °C (dec.)(lit.)
Flash Point: 219.4 °C
Enthalpy of Vaporization: 73.36 kJ/mol
Boiling Point: 439.1 °C at 760 mmHg
Vapour Pressure: 1.74E-08 mmHg at 25 °C
Canonical SMILES: CNC(CC1=CNC2=CC=CC=C21)C(=O)O
Isomeric SMILES: CN[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O
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
EINECS: 208-388-5
Product Categories of L-Tryptophan, N-methyl- (CAS NO.526-31-8): Indoles; Tryptophans; Amino Acid Derivatives; Peptide Synthesis; Tryptophan
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36
S36:Wear suitable protective clothing.
WGK Germany: 3
Specification
L-Tryptophan, N-methyl- (CAS NO.526-31-8) is also called Abrine ; N-Methyl-L-tryptophane ; N-Metil-L-triptofano ; L-Abrine ; N-Methyl-L-tryptophan ; Nalpha-Methyl-L-tryptophan . L-Tryptophan, N-methyl- (CAS NO.526-31-8) is white to light grey crystalline powder or crystals.