3-Buten-2-one,4-(dimethylamino)-, (3E)- supplier

Name
1-DIMETHYLAMINO-BUT-1-EN-3-ONE, 98
EINECS
CAS No. 2802-08-6
Article Data2
CAS DataBase
Density 0.901 g/cm³
Solubility
Melting Point
Formula C₆H₁₁NO
Boiling Point 169.2 °C at 760 mmHg
Molecular Weight 113.159
Flash Point 54.3 °C
Transport Information
Appearance clear reddish-brown to dark brown liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Buten-2-one,4-(dimethylamino)-, (E)- (8CI);(E)-4-Dimethylamino-3-buten-2-one;trans-4-(Dimethylamino)-3-buten-2-one;Methyl β-(N,N-dimethylamino)vinyl ketone;
PSA 20.31000
LogP 0.65070

3-Buten-2-one,4-(dimethylamino)-, (3E)- Specification

The 3-Buten-2-one,4-(dimethylamino)-, (3E)-, with the CAS registry number 2802-08-6, is also known as Methyl β-(N,N-dimethylamino)vinyl ketone. It belongs to the product categories of Acetylgroup; C₃ to C₆; Carbonyl Compounds; Ketones. This chemical's molecular formula is C₆H₁₁NO and formula weight is 113.16. What's more, its IUPAC name is (E)-4-(dimethylamino)but-3-en-2-one. It is used as organic reagents and pharmaceutical intermediates.

Physical properties of 3-Buten-2-one,4-(dimethylamino)-, (3E)- are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 20.31 Å²; (7)Index of Refraction: 1.448; (8)Molar Refractivity: 33.65 cm³; (9)Molar Volume: 125.5 cm³; (10)Surface Tension: 27.9 dyne/cm; (11)Density: 0.901 g/cm³; (12)Flash Point: 54.3 °C; (13)Enthalpy of Vaporization: 40.56 kJ/mol; (14)Boiling Point: 169.2 °C at 760 mmHg; (15)Vapour Pressure: 1.56 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C=CN(C)C
(2)Isomeric SMILES: CC(=O)/C=C/N(C)C
(3)InChI: InChI=1S/C6H11NO/c1-6(8)4-5-7(2)3/h4-5H,1-3H3/b5-4+
(4)InChIKey: QPWSKIGAQZAJKS-SNAWJCMRSA-N

Product Name

1-DIMETHYLAMINO-BUT-1-EN-3-ONE, 98

3-Buten-2-one,4-(dimethylamino)-, (3E)- Specification

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