InChI: | InChI=1/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 |
Specification: |
The CAS register number of N-Acetyl-L-lysine is 1946-82-3. It also can be called as L-Lysine, N2-acetyl- and the IUPAC name about this chemical is 2-acetamido-6-aminohexanoic acid. The molecular formula about this chemical is C8H16N2O3 and the molecular weight is 188.22. It belongs to the following product categories, such as Amino Acids; A - H; Amino Acids; Modified Amino Acids and so on. When you are using it, please do not breathe dust and avoid contact with skin and eyes.
Physical properties about N-Acetyl-L-lysine are: (1)ACD/LogP: -1.42; (2)ACD/LogD (pH 5.5): -3.92; (3)ACD/LogD (pH 7.4): -3.92; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 49.85Å2; (12)Index of Refraction: 1.49; (13)Molar Refractivity: 47.79 cm3; (14)Molar Volume: 165.2 cm3; (15)Polarizability: 18.94x10-24cm3; (16)Surface Tension: 46.6 dyne/cm; (17)Enthalpy of Vaporization: 76.24 kJ/mol; (18)Boiling Point: 438.5 °C at 760 mmHg; (19)Vapour Pressure: 6.45E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)O)CCCCN)C
(2)InChI: InChI=1/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
(3)InChIKey: VEYYWZRYIYDQJM-ZETCQYMHBC
(4)Std. InChI: InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
(5)Std. InChIKey: VEYYWZRYIYDQJM-ZETCQYMHSA-N
|