CAS No.53587-29-4,3-(3,4-DIHYDROXYPHENYL-2,5,6-D3)-L-ALANINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53587-29-4
Name:	3-(3,4-DIHYDROXYPHENYL-2,5,6-D3)-L-ALANINE

Formula:	C₉H₈D₃NO₄
Molecular Weight:	200.167
Synonyms:	L-Dihydroxyphenylalanine-2H3;
Density:	1.49 g/cm³
Melting Point:	292 °C (dec.)(lit.)
Boiling Point:	448.4 °C at 760 mmHg
Flash Point:	225 °C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-36
PSA:	103.78000
LogP:	0.75250

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Specification

The L-Tyrosine-2,3,6-d3,5-hydroxy- (9CI), with CAS registry number 53587-29-4, belongs to the following product categories: (1)Amino Acids 13C, 2H, 15N; (2)Standards - 13C & 2H for GC-Mass Spectrometry; (3)Amino Acids & Derivatives; (4)Intermediates & Fine Chemicals; (5)Isotope Labeled Compounds; (6)Neurochemicals; (7)Pharmaceuticals. It has the systematic name of 3-hydroxy-L-(2,5,6-2H3)tyrosine. This chemical is a kind of white solid. And the chemical formula of this chemical is C₉H₈D₃NO₄.

Physical properties of L-Tyrosine-2,3,6-d3,5-hydroxy- (9CI): (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.72; (4)ACD/LogD (pH 7.4): -2.73; (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: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 49.25 cm³; (15)Molar Volume: 134.2 cm³; (16)Polarizability: 19.52×10^-24cm³; (17)Surface Tension: 80.2 dyne/cm; (18)Density: 1.49 g/cm³; (19)Flash Point: 225 °C; (20)Enthalpy of Vaporization: 74.5 kJ/mol; (21)Boiling Point: 448.4 °C at 760 mmHg; (22)Vapour Pressure: 7.97E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The L-Tyrosine-2,3,6-d3,5-hydroxy- (9CI) irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1c(c([2H])c([2H])c(O)c1O)C[C@@H](C(=O)O)N
(2)InChI: InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i1D,2D,4D
(3)InChIKey: WTDRDQBEARUVNC-UOCCHMHCFG
(4)Std. InChI: InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i1D,2D,4D
(5)Std. InChIKey: WTDRDQBEARUVNC-UOCCHMHCSA-N