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13960-80-0

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Basic Information
CAS No.: 13960-80-0
Name: TRIMETHYL-D9-AMINE
Article Data: 5
Molecular Structure:
Molecular Structure of 13960-80-0 (TRIMETHYL-D9-AMINE)
Formula: C3D9N
Molecular Weight: 68.0397
Synonyms: Trimethyl-d9-ammonium-15N chloride;
Density: 0.799 g/cm3
Melting Point: 117 °C(lit.)
Boiling Point: 2.8 °C at 760 mmHg
Flash Point: 20 °F
Hazard Symbols: HighlyF+;IrritantXi;HarmfulXn
Risk Codes: 12-20-37/38-41-36/37/38
Safety: 16-26-29-36
Transport Information: UN 1083
PSA: 3.24000
LogP: 0.17780
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Specification

The Methan-d3-amine,N,N-di(methyl-d3)- (9CI), with the CAS registry number of 13960-80-0, is also known as Trimethyl-d9-ammonium-15N chloride. It belongs to the product categories of Alphabetical Listings; Chemical Synthesis; Compressed and Liquefied GasesStable Isotopes; GasesStable Isotopes; Synthetic Reagents. Its molecular formula is C3D9N and molecular weight is 68.17. What's more, its systematic name is N,N-Bis[(2H3)methyl](2H3)methanamine.

Physical properties about the Methan-d3-amine,N,N-di(methyl-d3)- (9CI) are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: Å2; (11)Index of Refraction: 1.378; (12)Molar Refractivity: 19.66 cm3; (13)Molar Volume: 85.3 cm3; (14)Surface Tension: 18.6 dyne/cm; (15)Density: 0.799 g/cm3; (16)Enthalpy of Vaporization: 22.94 kJ/mol; (17)Boiling Point: 2.8 °C at 760 mmHg; (18)Vapour Pressure: 1720 mmHg at 25 °C.

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: [2H]C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])[2H]
(2) InChI: InChI=1/C3H9N/c1-4(2)3/h1-3H3/i1D3,2D3,3D3
(3) InChIKey: GETQZCLCWQTVFV-GQALSZNTEE