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Methanamine,N,N-dimethyl-1,1-bis(phenylmethoxy)-

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Name

Methanamine,N,N-dimethyl-1,1-bis(phenylmethoxy)-

EINECS 217-946-7
CAS No. 2016-04-8 Density 1.073 g/cm3
PSA 21.70000 LogP 3.26520
Solubility N/A Melting Point N/A
Formula C17H21NO2 Boiling Point 354.3 °C at 760 mmHg
Molecular Weight 271.359 Flash Point 137.1 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2016-04-8 (N,N-DIMETHYLFORMAMIDE DIBENZYL ACETAL) Hazard Symbols IrritantXi
Synonyms

1,1-Bis(benzyloxy)trimethylamine;

Article Data 6

Methanamine,N,N-dimethyl-1,1-bis(phenylmethoxy)- Specification

The Methanamine,N,N-dimethyl-1,1-bis(phenylmethoxy)-, with the CAS registry number of 2016-04-8, is also known as 1,1-Bis(benzyloxy)trimethylamine. Its EINECS registry number is 217-946-7. Its molecular formula is C17H21NO2 and molecular weight is 271.35. What's more, its IUPAC name is N,N-Dimethyl-1,1-bis(phenylmethoxy)methanamine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about the Methanamine,N,N-dimethyl-1,1-bis(phenylmethoxy)- are: (1)ACD/LogP: 5.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.76; (4)ACD/LogD (pH 7.4): 5.9; (5)ACD/BCF (pH 5.5): 13115.4; (6)ACD/BCF (pH 7.4): 17882.75; (7)ACD/KOC (pH 5.5): 28200.25; (8)ACD/KOC (pH 7.4): 38450.82; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 81.35 cm3; (15)Molar Volume: 252.8 cm3; (16)Surface Tension: 40.4 dyne/cm; (17)Density: 1.073 g/cm3; (18)Flash Point: 137.1 °C; (19)Enthalpy of Vaporization: 59.93 kJ/mol; (20)Boiling Point: 354.3 °C at 760 mmHg; (21)Vapour Pressure: 3.39E-05 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-Benzyl-4-methylthio-5-fluoropyrimidin-2-one. This reaction needs solvent Dimethylformamide. The reaction time is 6 h with reaction temperature of 80 °C. The yield is about 48 %.

The Methanamine,N,N-dimethyl-1,1-bis(phenylmethoxy)- can react with 5-Fluoro-4-methylsulfanyl-1H-pyrimidin-2-one to get 1-Benzyl-4-methylthio-5-fluoropyrimidin-2-one

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: O(C(OCc1ccccc1)N(C)C)Cc2ccccc2
(2) InChI: InChI=1/C17H21NO2/c1-18(2)17(19-13-15-9-5-3-6-10-15)20-14-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
(3) InChIKey: JFIKHFNGAURIIB-UHFFFAOYAA

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