CAS No.13893-53-3,2-Amino-2,3-dimethylbutyronitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13893-53-3
Name:	2-Amino-2,3-dimethylbutyronitrile
Article Data:	12

Formula:	C₆H₁₂N₂
Molecular Weight:	112.175
Synonyms:	Butyronitrile,2-amino-2,3-dimethyl- (8CI);2-Amino-2,3-dimethylbutanenitrile;AC 94149;
Density:	0.896 g/cm³
Boiling Point:	173.5 °C at 760 mmHg
Flash Point:	58.8 °C
Appearance:	colourless to light yellow liquid
PSA:	49.81000
LogP:	1.58368

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Specification

The CAS register number of 2-Amino-2,3-dimethylbutyronitrile is 13893-53-3. It also can be called as Butanenitrile, 2-amino-2,3-dimethyl- and the IUPAC name about this chemical is 2-amino-2,3-dimethylbutanenitrile. The molecular formula about this chemical is C₆H₁₂N₂and molecular weight is 112.17.

Physical properties about 2-Amino-2,3-dimethylbutyronitrile are: (1)ACD/LogP: 0.21; (2)ACD/LogD (pH 5.5): 0.04; (3)ACD/LogD (pH 7.4): 0.2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.83; (7)ACD/KOC (pH 7.4): 30.62; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 27.03Å²; (12)Index of Refraction: 1.443; (13)Molar Refractivity: 33.21 cm³; (14)Molar Volume: 125 cm³; (15)Polarizability: 13.16x10^-24cm³; (16)Surface Tension: 33.4 dyne/cm; (17)Enthalpy of Vaporization: 40.99 kJ/mol; (18)Boiling Point: 173.5 °C at 760 mmHg; (19)Vapour Pressure: 1.26 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(N)(C)C(C)C
(2)InChI: InChI=1/C6H12N2/c1-5(2)6(3,8)4-7/h5H,8H2,1-3H3
(3)InChIKey: CAOHBROWLMCZRP-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H12N2/c1-5(2)6(3,8)4-7/h5H,8H2,1-3H3
(5)Std. InChIKey: CAOHBROWLMCZRP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	skin	95mg/kg (95mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	National Technical Information Service. Vol. OTS0540156,