-
Name
L-LYSINE ACETATE SALT
- EINECS 260-664-4
- CAS No. 52315-92-1
- Density 1.125g/cm3
- Solubility
- Melting Point 61-63°C(lit.)
- Formula C6H14N2O2.C2H4O2
- Boiling Point 311.5 °C at 760 mmHg
- Molecular Weight 206.24
- Flash Point 142.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes R22; R38; R67; R65; R62; R51/53
-
Molecular Structure
-
Hazard Symbols
Xn,
N,
F
- Synonyms 2,5-Cyclopentadiene-1,2-dicarbonitrile,4-(2,4,6-cycloheptatrien-1-ylidene)- (9CI);8,9-Dicyanosesquifulvalene;
- PSA 126.64000
- LogP 1.01880
L-Lysineacetate 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
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