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2-Amino-2-methylpropanenitrile

  • Name 2-Amino-2-methylpropanenitrile
  • EINECS242-989-3
  • CAS No. 19355-69-2
  • Density0.917 g/cm3
  • PSA49.81000
  • LogP0.94758
  • SolubilityInsoluble in water, soluble in organic solvents
  • Melting PointN/A
  • FormulaC4H8N2
  • Boiling Point150.4 °C at 760 mmHg
  • Molecular Weight84.1209
  • Flash Point44.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36/37/39
  • Risk Codes20/21/22-36/37/38
  • Molecular Structure
    Molecular Structure of 19355-69-2 (2-AMINO-2-METHYL-PROPIONITRILE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data60

2-Amino-2-methylpropanenitrile Specification

The Propanenitrile,2-amino-2-methyl- is an organic compound with the formula C4H8N2. The IUPAC name of this chemical is 2-amino-2-methylpropanenitrile. With the CAS registry number 19355-69-2 and EINECS 242-989-3, it is also named as 2-Cyanoisopropylamine. The product's category is Small Molecule. It is oily liquid which is insoluble in water and soluble in organic solvents.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.81; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.53; (8)ACD/KOC (pH 7.4): 10.2; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.03 Å2; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 23.99 cm3; (15)Molar Volume: 91.6 cm3; (16)Polarizability: 9.51×10-24 cm3; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 0.917 g/cm3; (19)Flash Point: 44.7 °C; (20)Enthalpy of Vaporization: 38.73 kJ/mol; (21)Boiling Point: 150.4 °C at 760 mmHg; (22)Vapour Pressure: 3.85 mmHg at 25°C.

Preparation of Propanenitrile,2-amino-2-methyl-: First, we can get 2-methyl-2-hydroxy-propionitrile by the reaction of potassium cyanide or sodium cyanide and acetone in the presence of sulfuric acid and water at 20 °C. Then, after the further ammonification, we can get the product.

Uses of Propanenitrile,2-amino-2-methyl-: It is used as intermediate of herbicide cyanazine and insecticide acetaniprid. It also can react with acetic acid anhydride to get a-acetylamino-isobutyronitrile. The reaction time is 12 hours and the yield is 39.5%.

Propanenitrile,2-amino-2-methyl- can react with acetic acid anhydride to get a-acetylamino-isobutyronitrile

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:N#CC(N)(C)C
2. InChI:InChI=1/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3
3. InChIKey:JQULXIOYDDCNGR-UHFFFAOYAU

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation 111ppm/1H (111ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0590012,

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