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| CAS No.: | 7218-02-2 |
|---|---|
| Name: | 2,6-dimethylbenzene-1,4-diamine |
| Molecular Structure: | |
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| Formula: | C8H12N2 |
| Molecular Weight: | 136.197 |
| Synonyms: | 4-Amino-2,6-dimethylaniline; |
| EINECS: | 230-608-3 |
| Density: | 1.076 g/cm3 |
| Boiling Point: | 282.2 °C at 760 mmHg |
| Flash Point: | 146.9 °C |
| PSA: | 52.04000 |
| LogP: | 2.63020 |
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- Total:15 Page 1 of 1 1
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Specification
The 1,4-Benzenediamine,2,6-dimethyl-, with the CAS registry number 7218-02-2, is also known as 4-Amino-2,6-dimethylaniline. Its EINECS registry number is 230-608-3. This chemical's molecular formula is C8H12N2 and molecular weight is 136.1943. What's more, both its IUPAC name and systematic name are the same which is 2,6-Dimethylbenzene-1,4-diamine.
Physical properties about 1,4-Benzenediamine,2,6-dimethyl- are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.26; (8)ACD/KOC (pH 7.4): 30.08; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 44.37 cm3; (15)Molar Volume: 126.5 cm3; (16)Polarizability: 17.59×10-24 cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.076 g/cm3; (19)Flash Point: 146.9 °C; (20)Enthalpy of Vaporization: 52.11 kJ/mol; (21)Boiling Point: 282.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0034 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cc(c(N)c(c1)C)C
(2) InChI: InChI=1/C8H12N2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,9-10H2,1-2H3
(3) InChIKey: MJAVQHPPPBDYAN-UHFFFAOYAS