CAS No.32778-35-1,3-Buten-2-one, 3-[(dimethylamino)methyl]- (6CI,9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	32778-35-1
Name:	3-Buten-2-one, 3-[(dimethylamino)methyl]- (6CI,9CI)
Article Data:	3

Formula:	C₇H₁₃NO
Molecular Weight:	127.18422
Synonyms:	3-((Dimethylamino)methyl)but-3-en-2-one;
Density:	0.887 g/cm³
Boiling Point:	172.309 °C at 760 mmHg
Flash Point:	49.327 °C
PSA:	20.31000
LogP:	0.69320

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Specification

The CAS registry number of 3-Buten-2-one, 3-[(dimethylamino)methyl]- (6CI,9CI) is 32778-35-1. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C₇H₁₃NO and molecular weight is 127.18422. What's more, its IUPAC name and systematic name are the same which is called 3-[(Dimethylamino)methyl]but-3-en-2-one.

Physical properties about 3-Buten-2-one, 3-[(dimethylamino)methyl]- (6CI,9CI): (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 9.018; (7)#H bond acceptors: 2; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 20.31 Å²; (11)Index of Refraction: 1.44; (12)Molar Refractivity: 37.798 cm³; (13)Molar Volume: 143.351 cm³; (14)Surface Tension: 26.94 dyne/cm; (15)Density: 0.887 g/cm³; (16)Flash Point: 49.327 °C; (17)Enthalpy of Vaporization: 40.868 kJ/mol; (18)Boiling Point: 172.309 °C at 760 mmHg; (19)Vapour Pressure: 1.339 mmHg at 25 °C.

Uses of 3-Buten-2-one, 3-[(dimethylamino)methyl]- (6CI,9CI): it is used to produce 3-Chloromethyl-but-3-en-2-one. The reaction occurs with reagent m-chlorobenzoyl chloride, solvent CHCl₃ and other condition of heating for 2 hours. The yield is 72%.

3-Buten-2-one, 3-[(dimethylamino)methyl]- (6CI,9CI) is used to produce 3-Chloromethyl-but-3-en-2-one

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)C(=C)CN(C)C
(2) InChI: InChI=1/C7H13NO/c1-6(7(2)9)5-8(3)4/h1,5H2,2-4H3
(3) InChIKey: SIMWBLBMZJOMID-UHFFFAOYAZ