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Name |
L-Tryptophan,N-(chloroacetyl)- (9CI) |
EINECS | 265-029-5 |
CAS No. | 64709-57-5 | Density | 1.428 g/cm3 |
PSA | 82.19000 | LogP | 1.90950 |
Solubility | N/A | Melting Point |
163 °C |
Formula | C13H13ClN2O3 | Boiling Point | 610.2 °C at 760 mmHg |
Molecular Weight | 280.711 | Flash Point | 322.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
L-Tryptophan, N-(2-chloroacetyl)-; |
Article Data | 4 |
The L-Tryptophan,N-(chloroacetyl)- (9CI), with the CAS registry number of 64709-57-5, is also known as L-Tryptophan, N-(2-chloroacetyl)-. It belongs to the product categories of Amino Acids; Indoles; Tryptophans; A - H; Amino Acids; Modified Amino Acids. Its EINECS registry number is 265-029-5. Its molecular formula is C13H13ClN2O3 and molecular weight is 280.71. What's more, its IUPAC name is (2S)-2-[(2-Chloroacetyl)amino]-3-(1H-indol-3-yl)propanoic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the L-Tryptophan,N-(chloroacetyl)- (9CI) are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -2.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 51.54 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 71.97 cm3; (15)Molar Volume: 196.5 cm3; (16)Surface Tension: 64.6 dyne/cm; (17)Density: 1.428 g/cm3; (18)Flash Point: 322.8 °C; (19)Enthalpy of Vaporization: 95.28 kJ/mol; (20)Boiling Point: 610.2 °C at 760 mmHg; (21)Vapour Pressure: 9.66E-16 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(=O)N[C@H](C(=O)O)Cc2c1ccccc1nc2
(2) InChI: InChI=1/C13H13ClN2O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)/t11-/m0/s1
(3) InChIKey: PGTJUXHMJYBSBW-NSHDSACABX