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L-Lysine,N6-[(4-methylphenyl)sulfonyl]-

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Name

L-Lysine,N6-[(4-methylphenyl)sulfonyl]-

EINECS N/A
CAS No. 2130-76-9 Density 1.264 g/cm3
PSA 117.87000 LogP 3.02750
Solubility N/A Melting Point 231-234 °C
Formula C13H20N2O4S Boiling Point 505.9 °C at 760 mmHg
Molecular Weight 300.379 Flash Point 259.8 °C
Transport Information N/A Appearance N/A
Safety 24/25-37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2130-76-9 (H-LYS(TOS)-OH) Hazard Symbols IrritantXi
Synonyms

N6-[(4-methylphenyl)sulfonyl]-L-lysine;

Article Data 3

L-Lysine,N6-[(4-methylphenyl)sulfonyl]- Specification

The L-Lysine,N6-[(4-methylphenyl)sulfonyl]-, with the CAS registry number of 2130-76-9, is also known as N6-[(4-methylphenyl)sulfonyl]-L-lysine. It belongs to the product categories of Amino Acids; I - Z; Modified Amino Acids. Its molecular formula is C13H20N2O4S and molecular weight is 300.37. What's more, its IUPAC name is (2S)-2-Azaniumyl-6-[(4-methylphenyl)sulfonylamino]hexanoate. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the L-Lysine,N6-[(4-methylphenyl)sulfonyl]- are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -1.44; (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: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 75.3 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 76.88 cm3; (15)Molar Volume: 237.5 cm3; (16)Surface Tension: 52.7 dyne/cm; (17)Density: 1.264 g/cm3; (18)Flash Point: 259.8 °C; (19)Enthalpy of Vaporization: 81.68 kJ/mol; (20)Boiling Point: 505.9 °C at 760 mmHg; (21)Vapour Pressure: 4.67E-11 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(cc1)C)NCCCC[C@@H](C(=O)O)N
(2) InChI: InChI=1/C13H20N2O4S/c1-10-5-7-11(8-6-10)20(18,19)15-9-3-2-4-12(14)13(16)17/h5-8,12,15H,2-4,9,14H2,1H3,(H,16,17)/t12-/m0/s1
(3) InChIKey: FRJAAXSHLGSWAP-LBPRGKRZBB

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