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Name |
N-Epsilon-acetyllysine |
EINECS | 211-725-9 |
CAS No. | 692-04-6 | Density | 1.139 g/cm3 |
PSA | 92.42000 | LogP | 0.79590 |
Solubility | Soluble in water (miscible), and 80% acetic acid (50 mg/ml). | Melting Point |
250 °C |
Formula | C8H16N2O3 | Boiling Point | 442 °C at 760 mmHg |
Molecular Weight | 188.227 | Flash Point | 221.1 °C |
Transport Information | N/A | Appearance | white crystalline powder |
Safety | 24/25-36-26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
w-N-Acetyl-L-lysine; |
Article Data | 19 |
The N-Epsilon-acetyllysine, with the CAS registry number 692-04-6, is also known as w-N-Acetyl-L-lysine. It belongs to the product categories of A - H; Amino Acids; Modified Amino Acids. Its EINECS registry number is 211-725-9. This chemical's molecular formula is C8H16N2O3 and molecular weight is 188.22. What's more, its IUPAC name is called (2S)-6-Acetamido-2-aminohexanoic acid.
Physical properties about this chemical are: (1)ACD/LogP: -1.42; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.92; (4)ACD/LogD (pH 7.4): -3.92; (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: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 49.85Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 47.79 cm3; (15)Molar Volume: 165.2 cm3; (16)Surface Tension: 46.6 dyne/cm; (17)Density: 1.139 g/cm3; (18)Flash Point: 221.1 °C; (19)Enthalpy of Vaporization: 76.68 kJ/mol; (20)Boiling Point: 442 °C at 760 mmHg; (21)Vapour Pressure: 4.76E-09 mmHg at 25 °C; (22)Melting Point: 250 °C.
When you are dealing with N-Epsilon-acetyllysine, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. And in case of contacting 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: O=C(NCCCC[C@H](N)C(=O)O)C
(2) InChI: InChI=1/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
(3) InChIKey: DTERQYGMUDWYAZ-ZETCQYMHBE