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| CAS No.: | 568577-84-4 |
|---|---|
| Name: | N-(4-ETHYLBENZYL)-N-METHYLAMINE |
| Molecular Structure: | |
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| Formula: | C10H15N |
| Molecular Weight: | 149.23 |
| Synonyms: | N-(4-ETHYLBENZYL)-N-METHYLAMINE;CHEMBRDG-BB 4004362;N-Methyl-4-ethylbenzylamine;(4-ethylbenzyl)methylamine(SALTDATA: HCl);4-Ethyl-N-Methyl-benzylaMine;1-(4-Ethylphenyl)-N-MethylMethanaMine |
| Density: | 0.91 g/cm3 |
| Boiling Point: | 213.7 °C at 760 mmHg |
| Flash Point: | 85 °C |
| PSA: | 12.03000 |
| LogP: | 2.35930 |
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- Total:18 Page 1 of 1 1
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Specification
The N-Methyl-4-ethylbenzylamine, with the CAS registry number 568577-84-4, is also known as (4-Ethylbenzyl)methylamine. It belongs to the product categories of Amines and Anilines; API Intermediates. This chemical's molecular formula is C10H15N and molecular weight is 149.23. What's more, its systematic name is 1-(4-Ethylphenyl)-N-methylmethanamine.
Physical properties about N-Methyl-4-ethylbenzylamine are: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.56; (4)ACD/LogD (pH 7.4): 0.23; (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): 2.89; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 48.94 cm3; (15)Molar Volume: 163.8 cm3; (16)Polarizability: 19.4×10-24 cm3; (17)Surface Tension: 31.5 dyne/cm; (18)Density: 0.91 g/cm3; (19)Flash Point: 85 °C; (20)Enthalpy of Vaporization: 45 kJ/mol; (21)Boiling Point: 213.7 °C at 760 mmHg; (22)Vapour Pressure: 0.162 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N(C)Cc1ccc(cc1)CC
(2) InChI: InChI=1/C10H15N/c1-3-9-4-6-10(7-5-9)8-11-2/h4-7,11H,3,8H2,1-2H3
(3) InChIKey: JCSDSVXBTRWEJS-UHFFFAOYAV