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| CAS No.: | 20059-73-8 |
|---|---|
| Name: | 4-[2-(DIMETHYLAMINO)ETHOXY]BENZYLAMINE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C11H18N2O |
| Molecular Weight: | 194.277 |
| Synonyms: | Benzylamine,p-[2-(dimethylamino)ethoxy]- (6CI,7CI,8CI);NSC 37857; |
| EINECS: | 243-491-9 |
| Density: | 1.021 g/cm3 |
| Boiling Point: | 304.967 °C at 760 mmHg |
| Flash Point: | 138.245 °C |
| Appearance: | colourless oily liquid |
| Risk Codes: | 43 |
| Safety: | 36/37 |
| PSA: | 38.49000 |
| LogP: | 1.78600 |
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Specification
The Benzenemethanamine,4-[2-(dimethylamino)ethoxy]-, with the CAS registry number 20059-73-8, is also known as p-(2-(Dimethylamino)ethoxy)benzylamine. It belongs to the product categories of Pharmaceutical Intermediates; Aromatics; API Intermediates. Its EINECS registry number is 243-491-9. This chemical's molecular formula is C11H18N2O and molecular weight is 194.27. What's more, both its IUPAC name and systematic name are the same which is called 2-[4-(Aminomethyl)phenoxy]-N,N-dimethylethanamine.
Physical properties about Benzenemethanamine,4-[2-(dimethylamino)ethoxy]- are: (1)ACD/LogP: 0.671; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.42; (4)ACD/LogD (pH 7.4): -2.30; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3 ; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.49 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 59.003 cm3; (15)Molar Volume: 190.197 cm3; (16)Polarizability: 23.391×10-24cm3; (17)Surface Tension: 38.85 dyne/cm; (18)Density: 1.021 g/cm3; (19)Flash Point: 138.245 °C; (20)Enthalpy of Vaporization: 54.538 kJ/mol; (21)Boiling Point: 304.976 °C at 760 mmHg; (22) Vapour Pressure: 0.0010mmHg at 25 °C.
Uses of Benzenemethanamine,4-[2-(dimethylamino)ethoxy]-: it is used to produce other chemicals. For example, it can react with 1H-Benzo[d][1,3]oxazine-2,4-dione to get 2-Amino-N-[4-(2-dimethylamino-ethoxy)-benzyl]-benzamide. The reaction occurs with reagent ethyl acetate at ambient temperature. The reaction time is 15 min. The yield is 56 %.
![Benzenemethanamine,4-[2-(dimethylamino)ethoxy]- can react with 1H-Benzo[d][1,3]oxazine-2,4-dione to get 2-Amino-N-[4-(2-dimethylamino-ethoxy)-benzyl]-benzamide.](/UserFilesUpload/Uses of Benzenemethanamine,4-[2-(dimethylamino)ethoxy]-.jpg)
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)CN)CCN(C)C
(2) InChI: InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-9,12H2,1-2H3
(3) InChIKey: OBHPRQNPNGQGCK-UHFFFAOYSA-N