| Identification | More | [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 Properties | Back 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) |
| Safety Data | Back Directory | [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 Information | Back 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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