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| CAS No.: | 13138-48-2 |
|---|---|
| Name: | 3,3'-DIMETHYLNAPHTHIDINE |
| Molecular Structure: | |
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| Formula: | C22H20N2 |
| Molecular Weight: | 312.414 |
| Synonyms: | Naphthidine,3,3'-dimethyl- (6CI,7CI,8CI);3,3'-Dimethylnaphthidine;Dimethylnaphthidine;3,3'-Dimethyl(1,1'-binaphthalene)-4,4'-diamine; |
| EINECS: | 236-069-0 |
| Density: | 1.201 g/cm3 |
| Melting Point: | 232 °C |
| Boiling Point: | 479.3 °C at 760 mmHg |
| Flash Point: | 292.7 °C |
| Solubility: | Slightly soluble in water |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 52.04000 |
| LogP: | 6.60360 |
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- Total:25 Page 1 of 1 1
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Specification
This chemical is called [1,1'-Binaphthalene]-4,4'-diamine,3,3'-dimethyl-, and it can also be named as 3,3'-Dimethylnaphthidine. With the molecular formula of C22H20N2, its molecular weight is 312.41. The CAS registry number of this chemical is 13138-48-2, and its EINECS number is 236-069-0. Additionally, the systematic name of this chemical is 3,3'-Dimethyl-1,1'-binaphthalene-4,4'-diamine.
Other characteristics of the [1,1'-Binaphthalene]-4,4'-diamine,3,3'-dimethyl- can be summarised as follows: (1)ACD/LogP: 4.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.9; (4)ACD/LogD (pH 7.4): 4.94; (5)ACD/BCF (pH 5.5): 3062.56; (6)ACD/BCF (pH 7.4): 3366.98; (7)ACD/KOC (pH 5.5): 10594.54; (8)ACD/KOC (pH 7.4): 11647.61; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.737; (14)Molar Refractivity: 104.65 cm3; (15)Molar Volume: 260 cm3; (16)Polarizability: 41.48×10-24 cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.201 g/cm3; (19)Flash Point: 292.7 °C; (20)Enthalpy of Vaporization: 74.35 kJ/mol; (21)Boiling Point: 479.3 °C at 760 mmHg; (22)Vapour Pressure: 2.4E-09 mmHg at 25°C.
Uses of this chemical: The 4,4'-Diisothiocyanato-3,3'-dimethyl-[1,1']binaphthalenyl could be obtained by the reactants of [1,1'-Binaphthalene]-4,4'-diamine,3,3'-dimethyl- and 1,1'-Thiocarbonyldi-2,2'-pyridone. This reaction needs the solvent of CH2Cl2. The yield is 88 %. This reaction should be taken at the temperature of 20 °C.
![The 4,4'-Diisothiocyanato-3,3'-dimethyl-[1,1']binaphthalenyl could be obtained by the reactants of [1,1'-Binaphthalene]-4,4'-diamine,3,3'-dimethyl- and 1,1'-Thiocarbonyldi-2,2'-pyridone.](/UserFilesUpload/Uses of [1,1'-Binaphthalene]-4,4'-diamine,3,3'-dimethyl-.jpg)
When you are using this chemical, please be cautious about it as follows: This chemical is irritating to eyes, respiratory system and skin. You should wear gloves and eye/face protection when you use it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: c1cccc2c(cc(c(N)c12)C)c4c3ccccc3c(N)c(c4)C
2.InChI: InChI=1/C22H20N2/c1-13-11-19(15-7-3-5-9-17(15)21(13)23)20-12-14(2)22(24)18-10-6-4-8-16(18)20/h3-12H,23-24H2,1-2H3
3.InChIKey: FTEGMIZQLGXBNA-UHFFFAOYAM