CAS No.51690-03-0,1-Dimethylamino-2-methylpentan-3-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51690-03-0
Name:	1-Dimethylamino-2-methylpentan-3-one
Article Data:	13

Formula:	C₈H₁₇NO
Molecular Weight:	143.229
Synonyms:	1-(Dimethylamino)-2-methyl-3-pentanone;
Density:	0.866 g/cm³
Boiling Point:	182.7 °C at 760 mmHg
Flash Point:	48.8 °C
PSA:	20.31000
LogP:	1.16320

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Specification

The systematic name of this chemical is 1-(dimethylamino)-2-methylpentan-3-one. With the CAS registry number 51690-03-0, it is also named as 3-pentanone, 1-(dimethylamino)-2-methyl-. In addition, the formula is C₈H₁₇NO and the molecular weight is 143.23.

The other characteristics of 1-Dimethylamino-2-methylpentan-3-one can be summarized as: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.02; (4)ACD/LogD (pH 7.4): -0.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.61; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 42.82 cm³; (15)Molar Volume: 165.3 cm³; (16)Polarizability: 16.97×10^-24 cm³; (17)Surface Tension: 27.4 dyne/cm; (18)Density: 0.866 g/cm³; (19)Flash Point: 48.8 °C; (20)Enthalpy of Vaporization: 41.9 kJ/mol; (21)Boiling Point: 182.7 °C at 760 mmHg; (22)Vapour Pressure: 0.799 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(CC)C(C)CN(C)C
2. InChI:InChI=1/C8H17NO/c1-5-8(10)7(2)6-9(3)4/h7H,5-6H2,1-4H3
3. InChIKey:QVWGKOYVOZJNRJ-UHFFFAOYAA
4. Std. InChI:InChI=1S/C8H17NO/c1-5-8(10)7(2)6-9(3)4/h7H,5-6H2,1-4H3
5. Std. InChIKey:QVWGKOYVOZJNRJ-UHFFFAOYSA-N