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CAS No.: | 21339-55-9 |
---|---|
Name: | L-ABRINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C12H14N2O2 |
Molecular Weight: | 218.255 |
Synonyms: | Tryptophan,1-methyl-, L- (6CI,7CI,8CI);1-Methyltryptophan;L-(-)-1-Methyltryptophan;L-1-Methyltryptophan;NSC 77678; |
EINECS: | 208-388-5 |
Density: | 1.284 g/cm3 |
Melting Point: | >300 °C (dec.)(lit.) |
Boiling Point: | 429.3 °C at 760 mmHg |
Flash Point: | 213.4 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 36 |
PSA: | 68.25000 |
LogP: | 1.83300 |
The L-Tryptophan, 1-methyl-, with CAS registry number 21339-55-9, belongs to the following product categories: (1)Indoles and derivatives; (2)Amino Acid Derivatives; (3)Peptide Synthesis; (4)Tryptophan. It has the systematic name of 1-methyl-L-tryptophan. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C12H14N2O2. What's more, its EINECS is 208-388-5.
Physical properties of L-Tryptophan, 1-methyl-: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 34.47 Å2; (11)Index of Refraction: 1.625; (12)Molar Refractivity: 60.13 cm3; (13)Molar Volume: 170 cm3; (14)Polarizability: 23.84×10-24cm3; (15)Surface Tension: 50.4 dyne/cm; (16)Density: 1.28 g/cm3; (17)Flash Point: 213.4 °C; (18)Enthalpy of Vaporization: 72.16 kJ/mol; (19)Boiling Point: 429.3 °C at 760 mmHg; (20)Vapour Pressure: 3.92E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The L-Tryptophan, 1-methyl- is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc2c1ccccc1n(c2)C
(2)InChI: InChI=1/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
(3)InChIKey: ZADWXFSZEAPBJS-JTQLQIEIBD
(4)Std. InChI: InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
(5)Std. InChIKey: ZADWXFSZEAPBJS-JTQLQIEISA-N