2-Pentanone,4-amino-4-methyl- supplier

Name
4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE
EINECS 210-876-8
CAS No. 625-04-7
Article Data22
CAS DataBase
Density 0.896 g/cm³
Solubility
Melting Point 125-130 °C (dec.)(lit.)
Formula C₆H₁₃NO
Boiling Point 169.4 °C at 760 mmHg
Molecular Weight 115.175
Flash Point 56.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Diacetonamine(6CI);(1,1-Dimethyl-2-oxobutyl)amine;2-Amino-2-methyl-4-pentanone;4-Amino-4-methyl-2-pentanone;
PSA 43.09000
LogP 1.40310

2-Pentanone,4-amino-4-methyl- 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

Product Name

4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE

2-Pentanone,4-amino-4-methyl- Specification

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