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Tryptophan, 7-(phenylmethoxy)-

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Name

Tryptophan, 7-(phenylmethoxy)-

EINECS N/A
CAS No. 66866-40-8 Density 1.323 g/cm3
PSA 88.34000 LogP 3.40160
Solubility N/A Melting Point 234.5-236 °C
Formula C18H18N2O3 Boiling Point 563.4 °C at 760 mmHg
Molecular Weight 310.34712 Flash Point 294.6 °C
Transport Information N/A Appearance gray solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 66866-40-8 (7-BENZYLOXY-D,L-TRYPTOPHAN) Hazard Symbols IrritantXi
Synonyms

DL-Tryptophan, 7-(phenylmethoxy)-;7-Benzyloxy-DL-tryptophan;NSC 92542;

 

Tryptophan, 7-(phenylmethoxy)- 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

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