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66866-40-8

Basic Information
CAS No.: 66866-40-8
Name: 7-BENZYLOXY-D,L-TRYPTOPHAN
Molecular Structure:
Molecular Structure of 66866-40-8 (7-BENZYLOXY-D,L-TRYPTOPHAN)
Formula: C18H18N2O3
Molecular Weight: 310.34712
Synonyms: DL-Tryptophan, 7-(phenylmethoxy)-;7-Benzyloxy-DL-tryptophan;NSC 92542;
Density: 1.323 g/cm3
Melting Point: 234.5-236 °C
Boiling Point: 563.4 °C at 760 mmHg
Flash Point: 294.6 °C
Appearance: gray solid
Hazard Symbols: IrritantXi
PSA: 88.34000
LogP: 3.40160
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Specification

The Tryptophan, 7-(phenylmethoxy)-, with the CAS registry number 66866-40-8, is also known as 7-Benzyloxy-DL-tryptophan. It belongs to the product categories of Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Indole Derivatives. This chemical's molecular formula is C18H18N2O3 and molecular weight is 310.34712. Its IUPAC name is called 2-amino-3-(7-phenylmethoxy-1H-indol-3-yl)propanoic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. This chemical is gray solid.

Physical properties of Tryptophan, 7-(phenylmethoxy)-: (1)ACD/LogP: 2.61; (2)ACD/LogD (pH 5.5): 0.11; (3)ACD/LogD (pH 7.4): 0.11; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.98; (7)ACD/KOC (pH 7.4): 1.96; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.682; (12)Molar Refractivity: 88.93 cm3; (13)Molar Volume: 234.5 cm3; (14)Surface Tension: 64.2 dyne/cm; (15)Density: 1.323 g/cm3; (16)Flash Point: 294.6 °C; (17)Enthalpy of Vaporization: 89.09 kJ/mol; (18)Boiling Point: 563.4 °C at 760 mmHg; (19)Vapour Pressure: 1.56E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC2=CC=CC3=C2NC=C3CC(C(=O)O)N
(2)InChI: InChI=1S/C18H18N2O3/c19-15(18(21)22)9-13-10-20-17-14(13)7-4-8-16(17)23-11-12-5-2-1-3-6-12/h1-8,10,15,20H,9,11,19H2,(H,21,22)
(3)InChIKey: MWHVBFNZTDNYRK-UHFFFAOYSA-N