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Dimethyl-d6-amine hydrochloride

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Name

Dimethyl-d6-amine hydrochloride

EINECS 258-409-7
CAS No. 53170-19-7 Density N/A
PSA 12.03000 LogP 1.02850
Solubility N/A Melting Point 170-173 °C (lit.)
Formula C2H2ClD6N Boiling Point 47 °C at 760 mmHg
Molecular Weight 87.4976 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 53170-19-7 (DIMETHYL-D 6-AMINE HYDROCHLORIDE) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Di(trideuteromethyl)ammoniumchloride;Methan-d3-amine, N-(methyl-d3)-, hydrochloride;

Article Data 7

Dimethyl-d6-amine hydrochloride Specification

The Dimethyl-d6-amine hydrochloride, with the CAS registry number 53170-19-7, is also known as Methan-d3-amine, N-(methyl-d3)-, hydrochloride. It belongs to the product categories of Alphabetical Listings; D; Stable Isotopes. Its EINECS registry number is 258-409-7. This chemical's molecular formula is C2H2ClD6N and molecular weight is 87.58. What's more, its IUPAC name is 1, 1, 1-Trideuterio-N-(trideuteriomethyl)methanamine hydrochloride. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Dimethyl-d6-amine hydrochloride are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 0; (5)Polar Surface Area: Å2; (6)Enthalpy of Vaporization: 29.68 kJ/mol; (7)Boiling Point: 47 °C at 760 mmHg; (8)Vapour Pressure: 322 mmHg at 25 °C.

Uses of Dimethyl-d6-amine hydrochloride: it is used to produce other chemicals. For example, it is used to produce N, N-Bis-trideuteriomethyl-benzamide. The reaction needs reagent aq. NaOH and solvent Tetrahydrofuran. The reaction time is 6 hours with reaction temperature of 25 °C. The yield is about 80 %.

Dimethyl-d6-amine hydrochloride can react with Benzoyl chloride to get N, N-Bis-trideuteriomethyl-benzamide.

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. And it is harmful if swallowed. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.[2H]C([2H])([2H])NC([2H])([2H])[2H]
(2) InChI: InChI=1/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H/i1D3,2D3;
(3) InChIKey: IQDGSYLLQPDQDV-TXHXQZCNEG

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