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3061-88-9

Basic Information
CAS No.: 3061-88-9
Name: L-Tyrosine, L-alanyl-
Article Data: 5
Cas Database
Molecular Structure:
Molecular Structure of 3061-88-9 (L-Tyrosine, L-alanyl-)
Formula: C12H16N2O4
Molecular Weight: 252.27
Synonyms: L-Tyrosine,N-L-alanyl-;Tyrosine, N-L-alanyl- (7CI);Tyrosine, N-L-alanyl-, L- (8CI);Tyrosine, N-alanyl- (6CI);10: PN: JP2006248976 SEQID: 10 claimed protein;48:PN: WO2007067983 SEQID: 197 unclaimed protein;73: PN: US20070066537 PAGE: 17claimed protein;L-Alanyl-L-tyrosine;
EINECS: 221-305-7
Density: 1.315 g/cm3
Melting Point: 238-240℃ (decomposition)
Boiling Point: 558 °C at 760 mmHg
Flash Point: 291.2 °C
Solubility: N/A
Appearance: White crystalline powder
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 112.65000
LogP: 0.94250
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  • L-ALANYL-L-TYROSINE CAS No.3061-88-9

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Specification

The L-Tyrosine, L-alanyl-, with CAS registry number 3061-88-9, belongs to the following product categories: (1)Biochemistry; (2)Oligopeptides; (3)Peptide Synthesis; (4)Dipeptides; (5)Dipeptides and Tripeptides; (6)Peptides. It has the systematic name of L-alanyl-L-tyrosine. This chemical should be stored at the temperature of −20°C. And the chemical formula of this chemical is C12H16N2O4. What's more, its EINECS is 221-305-7.

Physical properties of L-Tyrosine, L-alanyl-: (1)ACD/LogP: -0.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.55; (4)ACD/LogD (pH 7.4): -2.63; (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: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 64.85 cm3; (15)Molar Volume: 191.6 cm3; (16)Polarizability: 25.71×10-24cm3; (17)Surface Tension: 61.4 dyne/cm; (18)Density: 1.315 g/cm3; (19)Flash Point: 291.2 °C; (20)Enthalpy of Vaporization: 88.37 kJ/mol; (21)Boiling Point: 558 °C at 760 mmHg; (22)Vapour Pressure: 2.76E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)[C@@H](N)C)Cc1ccc(O)cc1
(2)InChI: InChI=1/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
(3)InChIKey: ALZVPLKYDKJKQU-XVKPBYJWBS
(4)Std. InChI: InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1
(5)Std. InChIKey: ALZVPLKYDKJKQU-XVKPBYJWSA-N