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52315-92-1

Basic Information
CAS No.: 52315-92-1
Name: L-LYSINE ACETATE SALT
Molecular Structure:
Molecular Structure of 52315-92-1 (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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    Product CAS NO. 52315-92-1 Molecular formula C6H14N2O2.C2H4O2 Molecular weight 206.24 Properties white crystal or crystalline powder Appearance:white crystal or crystalline p

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    L-LYSINE ACETATE SALT

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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