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| CAS No.: | 822-08-2 |
|---|---|
| Name: | 1,11-DIAMINOUNDECANE |
| Molecular Structure: | |
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| Formula: | C11H26N2 |
| Molecular Weight: | 186.341 |
| Synonyms: | Undecamethylenediamine;1, 11-Undecanediamine;1,11-Diaminoundecane; |
| EINECS: | 212-486-3 |
| Density: | 0.856 g/cm3 |
| Melting Point: | 45 °C |
| Boiling Point: | 255.7 °C at 760 mmHg |
| Flash Point: | 140.1 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 52.04000 |
| LogP: | 3.81530 |
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Specification
The Undecane-1,11-diamine, with the CAS registry number 822-08-2, is also known as 1, 11-Undecanediamine. It belongs to the product categories of Alpha, Omega-Alkanediamines; Alpha, Omega-Bifunctional Alkanes; Monofunctional & Alpha, Omega-Bifunctional Alkanes. Its EINECS registry number is 212-486-3. This chemical's molecular formula is C11H26N2 and molecular weight is 186.34. What's more, both its IUPAC name and systematic name are the same which is called Undecane-1,11-diamine.
Physical properties about Undecane-1,11-diamine are: (1) ACD/LogP: 2.70; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.4; (4) ACD/LogD (pH 7.4): -1.4; (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: 2; (10) #H bond donors: 4; (11) #Freely Rotating Bonds: 12; (12) Polar Surface Area: 6.48 Å2; (13) Index of Refraction: 1.464; (14) Molar Refractivity: 60.08 cm3; (15) Molar Volume: 217.4 cm3; (16) Surface Tension: 34.7 dyne/cm; (17) Density: 0.856 g/cm3; (18) Flash Point: 140.1 °C; (19) Enthalpy of Vaporization: 49.32 kJ/mol; (20) Boiling Point: 255.7 °C at 760 mmHg; (21) Vapour Pressure: 0.0161 mmHg at 25 °C; (22) Melting Point: 45 °C.
Uses of Undecane-1,11-diamine: it is used to produce other chemicals. For example, it is used to produce 2,14,22,34-Tetraaza-tricyclo[33.5.0.015,21]tetraconta-1(40),14,16,18,20,34,36,38-octaene;
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The reaction occurs with reagent Ethanol at temperature of 80 °C for 20 hours. The yield is 79 %.
You can still convert the following datas into molecular structure:
(1) SMILES: NCCCCCCCCCCCN
(2) InChI: InChI=1/C11H26N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-13H2
(3) InChIKey: KLNPWTHGTVSSEU-UHFFFAOYAY