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3,3'-Dimethylnaphthidine

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Name

3,3'-Dimethylnaphthidine

EINECS 236-069-0
CAS No. 13138-48-2 Density 1.201 g/cm3
PSA 52.04000 LogP 6.60360
Solubility Slightly soluble in water Melting Point 232 °C
Formula C22H20N2 Boiling Point 479.3 °C at 760 mmHg
Molecular Weight 312.414 Flash Point 292.7 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 13138-48-2 (3,3'-DIMETHYLNAPHTHIDINE) Hazard Symbols IrritantXi
Synonyms

Naphthidine,3,3'-dimethyl- (6CI,7CI,8CI);3,3'-Dimethylnaphthidine;Dimethylnaphthidine;3,3'-Dimethyl(1,1'-binaphthalene)-4,4'-diamine;

 

3,3'-Dimethylnaphthidine 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.

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

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