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| CAS No.: | 25620-58-0 |
|---|---|
| Name: | 1,6-DIAMINO-2,2,4(2,4,4)-TRIMETHYLHEXANE |
| Molecular Structure: | |
|
|
|
| Formula: | C9H22N2 |
| Molecular Weight: | 316.57 |
| Synonyms: | trimethylhexamethylenediamines;trimethylhexamethylene; |
| EINECS: | 247-134-8 |
| Density: | 0.856g/cm3 |
| Melting Point: | 37.5°C (estimate) |
| Boiling Point: | 224.5 °C at 760 mmHg |
| Flash Point: | 102.9 °C |
| Hazard Symbols: |
 C N
|
| Risk Codes: | 22-34-43-52/53 |
| Safety: | 26-36/37/39-45 |
| PSA: | 104.08000 |
| LogP: | 5.49380 |
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Specification
The 5,6-Dimethylheptane-1,6-diamine with cas registry number of 25620-58-0, its IUPAC Name is 5,6-dimethylheptane-1,6-diamine. And it is also called Trimethylhexamethylenediamine (2,2,4- and 2,4,4- isomers) ; 1,6-heptanediamine, 5,6-dimethyl-.
Physical properties about this chemical are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.01; (4)ACD/LogD (pH 7.4): -3.01; (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: 7; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 50.73 cm3; (15)Molar Volume: 184.8 cm3; (16)Polarizability: 20.11×10-24cm3; (17)Surface Tension: 32.3 dyne/cm; (18)Enthalpy of Vaporization: 46.1 kJ/mol; (19)Vapour Pressure: 0.091 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5,6-Dimethylheptane-1,6-diamine is also harmful by inhalation and if swallowed. So avoid to breathe dust. It causes burns, and it may cause sensitization by skin contact. It is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When use it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure: (1)SMILES:NCCCCC(C(N)(C)C)C; (2)InChI:InChI=1/C9H22N2/c1-8(9(2,3)11)6-4-5-7-10/h8H,4-7,10-11H2,1-3H3; (3)InChIKey:HUXPKQXHDPXCMM-UHFFFAOYAD; (4)Std. InChI:InChI=1S/C9H22N2/c1-8(9(2,3)11)6-4-5-7-10/h8H,4-7,10-11H2,1-3H3; (5)Std. InChIKey:HUXPKQXHDPXCMM-UHFFFAOYSA-N.