CAS No.625-04-7,4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	625-04-7
Name:	4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE
Article Data:	22

Formula:	C₆H₁₃NO
Molecular Weight:	115.175
Synonyms:	Diacetonamine(6CI);(1,1-Dimethyl-2-oxobutyl)amine;2-Amino-2-methyl-4-pentanone;4-Amino-4-methyl-2-pentanone;
EINECS:	210-876-8
Density:	0.896 g/cm³
Melting Point:	125-130 °C (dec.)(lit.)
Boiling Point:	169.4 °C at 760 mmHg
Flash Point:	56.2 °C
PSA:	43.09000
LogP:	1.40310

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Specification

The 2-Pentanone,4-amino-4-methyl- is an organic compound with the formula C₆H₁₃NO. The IUPAC name of this chemical is 4-Amino-4-methylpentan-2-one. With the CAS registry number 625-04-7, it is also named as Diacetonamine. The product's category is Acetylgroup. Besides, it can be used as intermediates in organic synthesis. It can be preparated by Isopropylidene acetone and Ammonia, then reaction mixture was dissolved in ethanol and become salt with oxalic acid - ethanol.

Physical properties about 2-Pentanone,4-amino-4-methyl- are: (1)ACD/LogP: -0.03; (2)ACD/LogD (pH 5.5): -2.94; (3)ACD/LogD (pH 7.4): -1.48; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 20.31 Å²; (12)Index of Refraction: 1.433; (13)Molar Refractivity: 33.37 cm³; (14)Molar Volume: 128.4 cm³; (15)Polarizability: 13.23×10^-24 cm³; (16)Surface Tension: 29.8 dyne/cm; (17)Density: 0.896 g/cm³; (18)Flash Point: 56.2 °C; (19)Enthalpy of Vaporization: 40.58 kJ/mol; (20)Boiling Point: 169.4 °C at 760 mmHg; (21)Vapour Pressure: 1.55 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H13NO/c1-5(8)4-6(2,3)7/h4,7H2,1-3H3
(2)InChIKey: CQTRUFMMCCOKTA-UHFFFAOYAJ
(3)Std. InChI: InChI=1S/C6H13NO/c1-5(8)4-6(2,3)7/h4,7H2,1-3H3
(4)Std. InChIKey: CQTRUFMMCCOKTA-UHFFFAOYSA-N