3,6-Diaminohexanoic acid supplier

Name
beta-lysine
EINECS
CAS No. 4299-56-3
Article Data4
CAS DataBase
Density 1.125 g/cm³
Solubility
Melting Point
Formula C₆H₁₄N₂O₂
Boiling Point 319.6 °C at 760 mmHg
Molecular Weight 146.189
Flash Point 147.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms beta-Lysine;Hexanoic acid, 3,6-diamino-;Isolysine;
PSA 89.34000
LogP 0.92790

3,6-Diaminohexanoic acid Specification

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

Product Name

beta-lysine

3,6-Diaminohexanoic acid Specification

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