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1999-43-5

Basic Information
CAS No.: 1999-43-5
Name: Methionine, alanyl-
Molecular Structure:
Molecular Structure of 1999-43-5 (Methionine, alanyl-)
Formula: C8H16N2O3S
Molecular Weight: 220.2892
Synonyms: DL-Methionine,N-DL-alanyl-;Methionine, N-DL-alanyl-, DL- (7CI,8CI);DL-Alanyl-DL-methionine;DL-a-Alanyl-DL-methionine;NSC 118370;
EINECS: 217-884-0
Density: 1.226 g/cm3
Melting Point:
Boiling Point: 485.2 °C at 760 mmHg
Flash Point: 247.3 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 117.72000
LogP: 0.74730
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  • Methionine, alanyl- cas  1999-43-5

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    Methionine, alanyl- cas 1999-43-5

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Specification

The Methionine, alanyl-, with the CAS registry number 1999-43-5, is also known as Alanylmethionine. It belongs to the product categories of Biochemistry; Oligopeptides; Peptide Synthesis. Its EINECS registry number is 217-884-0. This chemical's molecular formula is C8H16N2O3S and molecular weight is 220.29. What's more, its IUPAC name is called 2-(2-Aminopropanoylamino)-4-methylsulfanylbutanoic acid. It should be kept at -15 °C.

Physical properties about Methionine, alanyl- are: (1) ACD/LogP: -0.29; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.78; (4) ACD/LogD (pH 7.4): -2.86; (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: 4; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 75.15 Å2; (13) Index of Refraction: 1.533; (14) Molar Refractivity: 55.75 cm3; (15) Molar Volume: 179.5 cm3; (16) Surface Tension: 50.9 dyne/cm; (17) Density: 1.226 g/cm3; (18) Flash Point: 247.3 °C; (19) Enthalpy of Vaporization: 82.21 kJ/mol; (20) Boiling Point: 485.2 °C at 760 mmHg; (21) Vapour Pressure: 9.56E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC(C(=O)O)CCSC)C(N)C
(2) InChI: InChI=1/C8H16N2O3S/c1-5(9)7(11)10-6(8(12)13)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
(3) InChIKey: FSHURBQASBLAPO-UHFFFAOYAA