1,4-Benzenediamine,2,6-dimethyl- supplier

Name
2,6-dimethylbenzene-1,4-diamine
EINECS 230-608-3
CAS No. 7218-02-2
Article Data10
CAS DataBase
Density 1.076 g/cm³
Solubility
Melting Point
Formula C₈H₁₂N₂
Boiling Point 282.2 °C at 760 mmHg
Molecular Weight 136.197
Flash Point 146.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Amino-2,6-dimethylaniline;
PSA 52.04000
LogP 2.63020

1,4-Benzenediamine,2,6-dimethyl- 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

Product Name

2,6-dimethylbenzene-1,4-diamine

1,4-Benzenediamine,2,6-dimethyl- Specification

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