CAS No.19355-69-2,2-AMINO-2-METHYL-PROPIONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	19355-69-2
Name:	2-AMINO-2-METHYL-PROPIONITRILE
Article Data:	60

Formula:	C₄H₈N₂
Molecular Weight:	84.1209
Synonyms:	Propionitrile,2-amino-2-methyl- (6CI,7CI,8CI);1-Cyano-1-methylethylamine;2-Amino-2-cyanopropane;2-Amino-2-methylpropionitrile;2-Aminoisobutyronitrile;2-Aminopropane-2-carbonitrile;2-Cyanoisopropylamine;a-Amino-a-methylpropionitrile;a-Aminoisobutyronitrile;
EINECS:	242-989-3
Density:	0.917 g/cm³
Boiling Point:	150.4 °C at 760 mmHg
Flash Point:	44.7 °C
Solubility:	Insoluble in water, soluble in organic solvents
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	49.81000
LogP:	0.94758

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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%.

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,