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Benzeneethanamine,N,N-dimethyl-

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Name

Benzeneethanamine,N,N-dimethyl-

EINECS N/A
CAS No. 1126-71-2 Density 0.918 g/cm3
PSA 3.24000 LogP 1.79070
Solubility N/A Melting Point 143°C (estimate)
Formula C10H15N Boiling Point 207.3 °C at 760 mmHg
Molecular Weight 149.236 Flash Point 71.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1126-71-2 (N,N-DIMETHYL-N-PHENETHYLAMINE) Hazard Symbols IrritantXi
Synonyms

Phenethylamine,N,N-dimethyl- (8CI);Dimethyl(2-phenylethyl)amine;Dimethylphenethylamine;N,N-Dimethyl-2-phenylethylamine;N,N-Dimethyl-b-phenethylamine;N,N-Dimethylbenzeneethanamine;N,N-Dimethylphenethylamine;N,N-Dimethylphenylethylamine;N-(2-Phenylethyl)dimethylamine;N-Phenethyldimethylamine;NSC 1849;[(Dimethylamino)ethyl]benzene;

Article Data 115

Benzeneethanamine,N,N-dimethyl- Specification

The CAS register number of Benzeneethanamine,N,N-dimethyl- is 1126-71-2. It also can be called as Dimethylphenethylamine and the IUPAC name about this chemical is N,N-dimethyl-2-phenylethanamine. The molecular formula about this chemical is C10H15N and the molecular weight is 149.23. It belongs to the following product categories which include Amines; C9 to C10; Nitrogen Compounds and so on.

Physical properties about Benzeneethanamine,N,N-dimethyl- are: (1)ACD/LogP: 2.14; (2)ACD/LogD (pH 5.5): -0.93; (3)ACD/LogD (pH 7.4): -0.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.81; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 3.24 Å2; (11)Index of Refraction: 1.512; (12)Molar Refractivity: 48.78 cm3; (13)Molar Volume: 162.5 cm3; (14)Polarizability: 19.34x10-24cm3; (15)Surface Tension: 32.8 dyne/cm; (16)Density: 0.918 g/cm3; (17)Flash Point: 71.4 °C; (18)Enthalpy of Vaporization: 44.36 kJ/mol; (19)Boiling Point: 207.3 °C at 760 mmHg; (20)Vapour Pressure: 0.227 mmHg at 25 °C.

Preparation: this chemical can be prepared by N,N-dimethyl-phenylalanine nitrile. This reaction will need reagents of Na, liq. NH3 and solvent of tetrahydrofuran. The reaction time is 30 minutes with reaction temperature of -78 °C. The yield is about 95%.

Benzeneethanamine,N,N-dimethyl- can be prepared by N,N-dimethyl-phenylalanine nitrile.

Uses of Benzeneethanamine,N,N-dimethyl-: it can be used to produce N-Nitroso-N-methyl-b-phenethylamine. This reaction will need reagents of dinitrogen tetraoxide excess, conc. hydrochloric acid and solvent of acetic anhydride. The reaction time is 14 hours with reaction temperature of 25 °C. The yield is about 84%.

Benzeneethanamine,N,N-dimethyl- can be used to produce N-Nitroso-N-methyl-b-phenethylamine.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Usually it is not harmful to water, if no official permission, do not put materials into the permission surroundings. It is stable under normal temperature and pressure and if you want to store it, you should keep the container tightly sealed in dry, cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: N(CCc1ccccc1)(C)C
(2)InChI: InChI=1/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
(3)InChIKey: TXOFSCODFRHERQ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
(5)Std. InChIKey: TXOFSCODFRHERQ-UHFFFAOYSA-N

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