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45158-94-9

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Basic Information
CAS No.: 45158-94-9
Name: N-METHACRYLOYL-L-LYSINE
Article Data: 6
Molecular Structure:
Molecular Structure of 45158-94-9 (N-METHACRYLOYL-L-LYSINE)
Formula: C10H18N2O3
Molecular Weight: 214.265
Synonyms: N-Methacryloyl-L-lysine;
Density: 1.109 g/cm3
Boiling Point: 455.5 °C at 760 mmHg
Flash Point: 229.3 °C
PSA: 92.42000
LogP: 1.35210
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Specification

The L-Lysine,N6-(2-methyl-1-oxo-2-propen-1-yl)-, with the CAS registry number of 45158-94-9, is also known as N-Methacryloyl-L-lysine. Its molecular formula is C10H18N2O3 and molecular weight is 214.26. What's more, its systematic name is N2-(2-Methylacryloyl)-L-lysine.

Physical properties about the L-Lysine,N6-(2-methyl-1-oxo-2-propen-1-yl)- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 8; (9)Polar Surface Area: 92.42 Å2; (10)Index of Refraction: 1.498; (11)Molar Refractivity: 56.62 cm3; (12)Molar Volume: 193.1 cm3; (13)Surface Tension: 43.6 dyne/cm; (14)Density: 1.109 g/cm3; (15)Flash Point: 229.3 °C; (16)Enthalpy of Vaporization: 78.4 kJ/mol; (17)Boiling Point: 455.5 °C at 760 mmHg; (18)Vapour Pressure: 1.45E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N[C@@H](CCCCN)C(O)=O)C(C)=C
(2) InChI: InChI=1/C10H18N2O3/c1-7(2)9(13)12-8(10(14)15)5-3-4-6-11/h8H,1,3-6,11H2,2H3,(H,12,13)(H,14,15)/t8-/m0/s1
(3) InChIKey: FQYPKQOQUNFBDP-QMMMGPOBBB