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3-Buten-2-one,4-(dimethylamino)-1,1-dimethoxy-

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Name

3-Buten-2-one,4-(dimethylamino)-1,1-dimethoxy-

EINECS N/A
CAS No. 67751-23-9 Density 1.008 g/cm3
PSA 38.77000 LogP 0.24970
Solubility N/A Melting Point N/A
Formula C8H15NO3 Boiling Point 211.2 °C at 760 mmHg
Molecular Weight 173.212 Flash Point 81.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 67751-23-9 (1,1-DIMETHOXY-4-DIMETHYLAMINOBUT-3-EN-2-ONE) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

1,1-Dimethoxy-2-oxo-4-(dimethylamino)-3-butene;1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one;4-Dimethylamino-1,1-dimethoxy-3-butene-2-one;4-Dimethylamino-1,1-dimethoxybut-3-en-2-one;4-(dimethylamino)-1,1-dimethoxybut-3-ene-2-one;

Article Data 37

3-Buten-2-one,4-(dimethylamino)-1,1-dimethoxy- Specification

The 3-Buten-2-one,4-(dimethylamino)-1,1-dimethoxy-, with the CAS registry number 67751-23-9, is also known as Dichloromethoxyphosphine oxide. This chemical's molecular formula is C8H15NO3 and formula weight is 173.21. What's more, its systematic name is (3E)-4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one. 

Physical properties of 3-Buten-2-one,4-(dimethylamino)-1,1-dimethoxy- are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 8.74; (6)ACD/BCF (pH 7.4): 12.55; (7)ACD/KOC (pH 5.5): 147.94; (8)ACD/KOC (pH 7.4): 212.45; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 46.36 cm3; (15)Molar Volume: 171.6 cm3; (16)Surface Tension: 31 dyne/cm; (17)Density: 1.008 g/cm3; (18)Flash Point: 81.6 °C; (19)Enthalpy of Vaporization: 44.75 kJ/mol; (20)Boiling Point: 211.2 °C at 760 mmHg; (21)Vapour Pressure: 0.184 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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(/C=C/N(C)C)C(OC)OC
(2)InChI: InChI=1S/C8H15NO3/c1-9(2)6-5-7(10)8(11-3)12-4/h5-6,8H,1-4H3/b6-5+
(3)InChIKey: DFZIBCAWOSFLFR-AATRIKPKSA-N

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