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10290-61-6

Basic Information
CAS No.: 10290-61-6
Name: BZ-MET-OH
Article Data: 44
Molecular Structure:
Molecular Structure of 10290-61-6 (BZ-MET-OH)
Formula: C12H15NO3S
Molecular Weight: 253.322
Synonyms: Methionine,N-benzoyl-, L- (8CI);Benzoylmethionine;L-N-Benzoylmethionine;N-Benzoyl-L-methionine;N-Benzoylmethionine;
EINECS: 233-646-9
Density: 1.237 g/cm3
Melting Point: 176-178 °C
Boiling Point: 529.7 °C at 760 mmHg
Flash Point: 274.2 °C
PSA: 91.70000
LogP: 2.01360
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Specification

The L-Methionine, N-benzoyl-, with the CAS registry number of 10290-61-6, is also known as N-Benzoyl-L-methionine. It belongs to the product category of Amino Acids. Its EINECS registry number is 233-646-9. This chemical's molecular formula is C12H15NO3S and molecular weight is 253.32. What's more, its IUPAC name is (2S)-2-Benzamido-4-methylsulfanylbutanoic acid.In addition, L-Methionine, N-benzoyl- can be stored at room temperature.

Physical properties about L-Methionine, N-benzoyl- are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -1.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 71.91 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 67.92 cm3; (15)Molar Volume: 204.7 cm3; (16)Surface Tension: 51.8 dyne/cm; (17)Density: 1.237 g/cm3; (18)Flash Point: 274.2 °C; (19)Enthalpy of Vaporization: 84.72 kJ/mol; (20)Boiling Point: 529.7 °C at 760 mmHg; (21)Vapour Pressure: 4.75E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@H](C(=O)O)CCSC)c1ccccc1
(2) InChI: InChI=1/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
(3) InChIKey: PPFRJEXUPZWQPI-JTQLQIEIBU