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6045-08-5

6045-08-5 Structure

6045-08-5 Structure
IdentificationBack Directory
[Name]

TERT-BUTYL-D9-AMINE
[CAS]

6045-08-5
[Synonyms]

Tert-Butylamine-D9
TERT-BUTYL-D9-AMINE
2-Amino-2-Methyl-D3-P
[2H9]-tert-Butyl-amine
2-AMINO-2-METHYL-D3-PROPANE-D6
TERT-BUTYL-D9-AMINE, 98 ATOM % D
2-AMINO-2-METHYL-D3-PROPANE-1,1,1,3,3,3-D6
2-Propan-1,1,1,3,3,3-d6-amine, 2-(methyl-d3)-
[Molecular Formula]

C4H2D9N
[MDL Number]

MFCD00084112
[MOL File]

6045-08-5.mol
[Molecular Weight]

82.19
Chemical PropertiesBack Directory
[Melting point ]

-67 °C (lit.)
[Boiling point ]

46 °C (lit.)
[density ]

0.933 g/mL at 25 °C
[refractive index ]

n20/D 1.401(lit.)
[Fp ]

16 °F
[storage temp. ]

0-6°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Colourless to Yellow
[Stability:]

Volatile
[InChI]

1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3/i1D3,2D3,3D3
[InChIKey]

YBRBMKDOPFTVDT-GQALSZNTSA-N
[SMILES]

[2H]C([2H])([2H])C(N)(C([2H])([2H])[2H])C([2H])([2H])[2H]
Safety DataBack Directory
[Hazard Codes ]

F,C
[Risk Statements ]

11-20/22-35
[Safety Statements ]

26-36/37/39-45
[RIDADR ]

UN 3286 3/PG 2
[WGK Germany ]

3
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Dam. 1
Flam. Liq. 2
Skin Corr. 1A
Hazard InformationBack Directory
[Chemical Properties]

Clear Colourless Oil
[Uses]

tert-Butylamine is common reagent in pharmaceuticals syntheses. Used in the preparation of aminoBODIPY compounds for chemical analyses. Also it aids in the synthesis of benzylurea-based insecticides c ontaining amide and sulfonate groups. It has also been used in the synthesis of BPTES analogs, that act as glutaminase inhibitors, which can attenuate the growth of human lymphoma B cells. This is the labeled analog.
[Synthesis]

In a 100 mL flask with a thermometer and condenser tube, 3.607 g (0.1 mol) of methanol-D4 was added and cooled to 0 C. Under stirring conditions, 38.071 g (0.15 mol) of iodine, and an appropriate amount of red phosphorus were added slowly in batches, and
Spectrum DetailBack Directory
[Spectrum Detail]

TERT-BUTYL-D9-AMINE(6045-08-5)1HNMR
TERT-BUTYL-D9-AMINE(6045-08-5)13CNMR
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