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CAS No.: | 4299-56-3 |
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Name: | beta-lysine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H14N2O2 |
Molecular Weight: | 146.189 |
Synonyms: | beta-Lysine;Hexanoic acid, 3,6-diamino-;Isolysine; |
Density: | 1.125 g/cm3 |
Boiling Point: | 319.6 °C at 760 mmHg |
Flash Point: | 147.1 °C |
PSA: | 89.34000 |
LogP: | 0.92790 |
The IUPAC name of this chemical is 3,6-Diaminohexanoic acid. With the CAS registry number 4299-56-3, it is also named as hexanoic acid,3,6-diamino-. In addition, the molecular formula is C6H14N2O2 and the molecular weight is 146.19. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 3,6-Diaminohexanoic acid are: (1)ACD/LogP: -1.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.6; (4)ACD/LogD (pH 7.4): -4.57; (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)Index of Refraction: 1.503; (14)Molar Refractivity: 38.43 cm3; (15)Molar Volume: 129.9 cm3; (16)Polarizability: 15.23 ×10-24cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.125 g/cm3; (19)Flash Point: 147.1 °C; (20)Enthalpy of Vaporization: 61.71 kJ/mol; (21)Boiling Point: 319.6 °C at 760 mmHg; (22)Vapour Pressure: 6.99E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(N)CCCN
(2)InChI: InChI=1/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)
(3)InChIKey: QKEWQOJCHPFEAF-UHFFFAOYAC