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Methyl L-lysinate dihydrochloride

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Name

Methyl L-lysinate dihydrochloride

EINECS 247-625-7
CAS No. 26348-70-9 Density 1.031 g/cm3
PSA 78.34000 LogP 2.62030
Solubility Soluble in water. Melting Point 213-215 °C
Formula C7H18Cl2N2O2 Boiling Point 243.9 °C at 760 mmHg
Molecular Weight 196.677 Flash Point 93.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 26348-70-9 (Methyl L-lysinate dihydrochloride) Hazard Symbols N/A
Synonyms

L-Lysine,methyl ester, dihydrochloride (9CI);Lysine, methyl ester, dihydrochloride, L-(8CI);L-Lysine dihydrochloride methyl ester;Lysine methyl esterdihydrochloride;NSC 83256;H-Lys-OMe·2HCl;

Article Data 34

Methyl L-lysinate dihydrochloride Specification

The L-Lysine, methyl ester,hydrochloride (1:2), with the CAS registry number 26348-70-9, is also known as (S)-2,6-Diaminohexanoic acid methyl ester dihydrochloride. It belongs to the product categories of Amino Acid Derivatives; Amino Acids; Lysine [Lys, K]; Amino Acids and Derivatives; Amino Acid Methyl Esters; Amino Acids (C-Protected); Biochemistry; Amino Hydrochloride; Amino Acids; I - Z and Modified Amino Acids. Its EINECS registry number is 247-625-7. This chemical's molecular formula is C7H18Cl2N2O2 and molecular weight is 233.14. What's more, its IUPAC name is Methyl (2S)-2,6-diaminohexanoate dihydrochloride and systematic name is called Methyl L-lysinate dihydrochloride.

Physical properties about L-Lysine, methyl ester,hydrochloride (1:2) are: (1) ACD/LogP: -0.84; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -4.89; (4) ACD/LogD (pH 7.4): -3.94; (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: 4; (10) #H bond donors: 4; (11) #Freely Rotating Bonds: 8; (12) Polar Surface Area: 32.78 Å2; (13) Flash Point: 93.5 °C; (14) Enthalpy of Vaporization: 48.09 kJ/mol; (15) Boiling Point: 243.9 °C at 760 mmHg; (16) Vapour Pressure: 0.0313 mmHg at 25 °C; (17) Melting Point: 213-215 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.O=C(OC)[C@@H](N)CCCCN
(2) InChI: InChI=1/C7H16N2O2.2ClH/c1-11-7(10)6(9)4-2-3-5-8;;/h6H,2-5,8-9H2,1H3;2*1H/t6-;;/m0../s1
(3) InChIKey: SXZCBVCQHOJXDR-ILKKLZGPBX

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