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| CAS No.: | 586-70-9 |
|---|---|
| Name: | 1-(4-METHYLPHENYL)ETHYLAMINE 96 |
| Molecular Structure: | |
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| Formula: | C9H13N |
| Molecular Weight: | 135.209 |
| Synonyms: | Benzylamine,p,a-dimethyl- (8CI);(RS)-a,4-Dimethylbenzylamine;1-(4-Methylphenyl)ethylamine;1-(p-Methylphenyl)ethylamine;p-Methyl-a-phenylethylamine;a,4-DiMethyl-benzenemethanamine;a-p-Tolylethylamine; |
| EINECS: | 443-160-0 |
| Density: | 0.945 g/cm3 |
| Boiling Point: | 208.6 °C at 760 mmHg |
| Flash Point: | 84.2 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 37/38-41 |
| Safety: | 26-39 |
| PSA: | 26.02000 |
| LogP: | 2.71500 |
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Specification
This chemical is called 1-(4-Methylphenyl)ethanamine, and its CAS registry number is 586-70-9. With the molecular formula of C9H13N, its molecular weight is 135.21. The of this chemical is 586-70-9. Additionally, its product categories are Amines and Anilines; Amines; C9 to C10; Nitrogen Compounds.
Other characteristics of the 1-(4-Methylphenyl)ethanamine can be summarised as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.18; (4)ACD/LogD (pH 7.4): -0.48; (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): 1.08; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 44.16 cm3; (15)Molar Volume: 142.9 cm3; (16)Polarizability: 17.5×10-24cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 0.945 g/cm3; (19)Flash Point: 84.2 °C; (20)Enthalpy of Vaporization: 44.48 kJ/mol; (21)Boiling Point: 208.6 °C at 760 mmHg; (22)Vapour Pressure: 0.212 mmHg at 25°C.
Uses of this chemical: The (S)-1-p-tolyl-ethylamine and (R)-1-p-tolyl-ethylamine could be obtained by the reactant of 1-(4-Methylphenyl)ethanamine. This reaction needs the reagent of (R)-(6-methoxynaphth-2-yl)glycolic acid, and the solvent of ethanol, H2O.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to respiratory system and skin. It has risk of serious damage to the eyes. Wear eye / face protection if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: NC(c1ccc(cc1)C)C
2.InChI: InChI=1/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3
3.InChIKey: UZDDXUMOXKDXNE-UHFFFAOYAT