Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Chloro-L-tryptophan |
EINECS | N/A |
CAS No. | 52448-15-4 | Density | 1.474 g/cm3 |
PSA | 79.11000 | LogP | 2.47600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H11ClN2O2 | Boiling Point | 476.9 °C at 760 mmHg |
Molecular Weight | 238.67 | Flash Point | 242.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
L-Tryptophan, 5-chloro- (9CI);(2S)-2-amino-3-(5-chloro-1H-indol-3-yl)propanoic acid;5-chlorotryptophan;L-tryptophan, 5-chloro-; |
Article Data | 1 |
This chemical is called 5-Chloro-L-tryptophan, and its CAS registry number is 52448-15-4. With the molecular formula of C11H11ClN2O2, its molecular weight is 238.67.
Other characteristics of the 5-Chloro-L-tryptophan can be summarised as followings: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.68; (4)ACD/LogD (pH 7.4): -0.68; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.47 Å2; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 62.66 cm3; (15)Molar Volume: 161.8 cm3; (16)Polarizability: 24.84×10-24cm3; (17)Surface Tension: 71.8 dyne/cm; (18)Density: 1.474 g/cm3; (19)Flash Point: 242.2 °C; (20)Enthalpy of Vaporization: 78.03 kJ/mol; (21)Boiling Point: 476.9 °C at 760 mmHg; (22)Vapour Pressure: 6.66E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@@H](N)Cc2c1cc(Cl)ccc1nc2
2.InChI: InChI=1/C11H11ClN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
3.InChIKey: TUKKZLIDCNWKIN-VIFPVBQEBT