ChemicalBook--->CAS DataBase List--->13893-53-3

13893-53-3

13893-53-3 Structure

13893-53-3 Structure
IdentificationMore
[Name]

2-Amino-2,3-dimethylbutyronitrile
[CAS]

13893-53-3
[Synonyms]

2-AMINO-2,3-DIMETHYLBUTANENITRILE
2-AMINO-2,3-DIMETHYL-BUTYRONITRILE
[EINECS(EC#)]

219-735-5
[Molecular Formula]

C6H12N2
[MDL Number]

MFCD00661864
[Molecular Weight]

112.17
[MOL File]

13893-53-3.mol
Chemical PropertiesBack Directory
[Boiling point ]

43 °C
[density ]

0.896±0.06 g/cm3(Predicted)
[vapor pressure ]

8.98-101430Pa at 20-165.5℃
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[solubility ]

Chloroform, Methanol (Slightly)
[form ]

Oil
[pka]

5.18±0.25(Predicted)
[color ]

Light Yellow
[InChI]

InChI=1S/C6H12N2/c1-5(2)6(3,8)4-7/h5H,8H2,1-3H3
[InChIKey]

CAOHBROWLMCZRP-UHFFFAOYSA-N
[SMILES]

C(#N)C(N)(C)C(C)C
[LogP]

0.7 at 23℃ and pH6.1-10.5
[Dissociation constant]

5 at 25℃
[CAS DataBase Reference]

13893-53-3(CAS DataBase Reference)
[EPA Substance Registry System]

13893-53-3(EPA Substance)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzyltriethylammonium chloride-->3-Methyl-2-butanone-->POTASSIUM CYANIDE-->Sodium cyanide-->sodium:cyanide-->Hydrogen cyanide-->L(+)-Tartaric acid
[Preparation Products]

Imazapyr acid-->Fenoxanil-->2-Amino-2,3-dimethylbutyramide
Safety DataBack Directory
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

2926907090
[Toxicity]

rat,LD50,skin,95mg/kg (95mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: ATAXIA,National Technical Information Service. Vol. OTS0540156,
Hazard InformationBack Directory
[Uses]

2-Amino-2,3-dimethylbutanenitrile is used by Rhodococcus qingshengii in the biosynthesis of 2-Amino-2,3-dimethylbutyramide, an important intermediate in the synthesis of potent imadazoline herbicides. In addition, it is used to prepare new chiral ligands.
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