L-Tryptophan,N-(chloroacetyl)- (9CI) supplier

Name
CHLOROACETYL-L-TRYPTOPHAN
EINECS 265-029-5
CAS No. 64709-57-5
Article Data4
CAS DataBase
Density 1.428 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Tryptophan, N-(2-chloroacetyl)-;
PSA 82.19000
LogP 1.90950

L-Tryptophan,N-(chloroacetyl)- (9CI) Specification

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

Product Name

CHLOROACETYL-L-TRYPTOPHAN

L-Tryptophan,N-(chloroacetyl)- (9CI) Specification

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