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2899-30-1

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Basic Information
CAS No.: 2899-30-1
Name: L-Tryptophanol oxalate
Molecular Structure:
Molecular Structure of 2899-30-1 (L-Tryptophanol oxalate)
Formula: C11H14N2O.C2H2O4
Molecular Weight: 280.28
Synonyms: [(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]azanium;
Melting Point: 205-210 °C
Boiling Point: 654.4 °C at 760 mmHg
Flash Point: 349.5 °C
Appearance: white to beige glistening crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: R36/37/38
Safety: 37/39-26
PSA: 136.64000
LogP: 0.88590
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Specification

The L-Tryptophanol oxalate, with the CAS registry number 2899-30-1, is also known as 3-(2-Hydroxyphenyl)-DL-alanine. This chemical's molecular formula is C13H16N2O5 and molecular weight is 280.28. Its systematic name is called 2-amino-3-(1H-indol-3-yl)propan-1-ol ethanedioate (salt). What's more, this product should be sealed and stored in cool and dry place which is white to beige glistening crystalline powder.

Physical properties of L-Tryptophanol oxalate: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 7; (3)#H bond donors: 6; (4)#Freely Rotating Bonds: 6; (5)Flash Point: 349.5 °C; (6)Enthalpy of Vaporization: 101.28 kJ/mol; (7)Boiling Point: 654.4 °C at 760 mmHg; (8)Vapour Pressure: 5.14E-18 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C(O)=O.OCC(N)Cc2cnc1ccccc12
(2)InChI: InChI=1/C11H14N2O.C2H2O4/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11;3-1(4)2(5)6/h1-4,6,9,13-14H,5,7,12H2;(H,3,4)(H,5,6)
(3)InChIKey: SMMDBEAUGRIWDE-UHFFFAOYAV