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52315-76-1

Basic Information
CAS No.: 52315-76-1
Name: L-Lysine acetate
Molecular Structure:
Molecular Structure of 52315-76-1 (L-Lysine acetate)
Formula: C8H18N2O4
Molecular Weight: 206.2395
Synonyms: Lysine acetate;EINECS 260-664-4;L-Lysine monoacetate;
EINECS: 257-845-5
Boiling Point: 311.5 °C at 760 mmHg
Flash Point: 142.2 °C
PSA: 126.64000
LogP: 1.01880
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Specification

The L-Lysine acetate, with CAS registry number 52315-76-1, has the systematic name of L-lysine acetate (1:1). Besides this, it is also called L-lysine, monoacetate. And the chemical formula of this chemical is C8H18N2O4. What's more, its EINECS is 257-845-5.

Physical properties of L-Lysine acetate: (1)ACD/LogP: -1.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.54; (4)ACD/LogD (pH 7.4): -4.5; (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: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 32.78 Å2; (13)Flash Point: 142.2 °C; (14)Enthalpy of Vaporization: 60.75 kJ/mol; (15)Boiling Point: 311.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000123 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C.O=C(O)[C@@H](N)CCCCN
(2)InChI: InChI=1/C6H14N2O2.C2H4O2/c7-4-2-1-3-5(8)6(9)10;1-2(3)4/h5H,1-4,7-8H2,(H,9,10);1H3,(H,3,4)/t5-;/m0./s1
(3)InChIKey: RRNJROHIFSLGRA-JEDNCBNOBI
(4)Std. InChI: InChI=1S/C6H14N2O2.C2H4O2/c7-4-2-1-3-5(8)6(9)10;1-2(3)4/h5H,1-4,7-8H2,(H,9,10);1H3,(H,3,4)/t5-;/m0./s1
(5)Std. InChIKey: RRNJROHIFSLGRA-JEDNCBNOSA-N