CAS No.52315-92-1,L-LYSINE ACETATE SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52315-92-1
Name:	L-LYSINE ACETATE SALT

Formula:	C₆H₁₄N₂O₂^.C₂H₄O₂
Molecular Weight:	206.24
Synonyms:	2,5-Cyclopentadiene-1,2-dicarbonitrile,4-(2,4,6-cycloheptatrien-1-ylidene)- (9CI);8,9-Dicyanosesquifulvalene;
EINECS:	260-664-4
Density:	1.125g/cm3
Melting Point:	61-63°C(lit.)
Boiling Point:	311.5 °C at 760 mmHg
Flash Point:	142.2 °C
Hazard Symbols:	Xn,N,F
Risk Codes:	R22; R38; R67; R65; R62; R51/53
PSA:	126.64000
LogP:	1.01880

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Specification

The systematic name of 1,2-Cyclopentanedicarbonitrile,4-(2,4,6-cycloheptatrien-1-ylidene)- is L-lysine acetate (1:1). With the CAS registry number 52315-92-1, it is also named as L-Lysine acetate. The product's category is Amino Acids Series. Besides, it is white crystalline powder, which is used as amino acids drug. In addition, its molecular formula is C₆H₁₄N₂O₂^.C₂H₄O₂ and molecular weight is 206.24.

The other characteristics of 1,2-Cyclopentanedicarbonitrile,4-(2,4,6-cycloheptatrien-1-ylidene)- can be summarized as: (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)Melting Point: 191-193 °C; (14)Flash Point: 142.2 °C; (15)Enthalpy of Vaporization: 60.75 kJ/mol; (16)Boiling Point: 311.5 °C at 760 mmHg; (17)Vapour Pressure: 0.000123 mmHg at 25 °C.

People can use the following data to convert to the molecule 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