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4-Dimethoxymethylpyrimidine

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Name

4-Dimethoxymethylpyrimidine

EINECS N/A
CAS No. 25746-87-6 Density 1.112 g/cm3
PSA 44.24000 LogP 0.76800
Solubility N/A Melting Point N/A
Formula C7H10 N2 O2 Boiling Point 196.822 °C at 760 mmHg
Molecular Weight 154.169 Flash Point 70.568 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 25746-87-6 (4-(DIMETHOXYMETHYL)PYRIMIDINE) Hazard Symbols N/A
Synonyms

4-Pyrimidinecarboxaldehyde,dimethyl acetal (8CI);4-Dimethoxymethylpyrimidine;4-(dimethoxymethyl)pyrimidine;

Article Data 3

4-Dimethoxymethylpyrimidine Specification

The Pyrimidine, 4-(dimethoxymethyl)-, with the cas registry number 25746-87-6, has the IUPAC name of 4-(dimethoxymethyl)pyrimidine. And it belongs to the product categories of API intermediates.

The physical properties of this chemical are as follows: (1)ACD/LogP: 0.36; (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): 16; (6)ACD/KOC (pH 7.4): 16; (7)#H bond acceptors: 4; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 44.24; (11)Index of Refraction: 1.49; (12)Molar Refractivity: 40.111 cm3; (13)Molar Volume: 138.678 cm3; (14)Polarizability: 15.901× 10-24 cm3; (15)Surface Tension: 40.549 dyne/cm; (16)Density: 1.112 g/cm3; (17)Flash Point: 70.568 °C; (18)Enthalpy of Vaporization: 41.531 kJ/mol; (19)Boiling Point: 196.822 °C at 760 mmHg; (20)Vapour Pressure: 0.549 mmHg at 25°C; (21)Exact Mass: 154.074228; (22)MonoIsotopic Mass: 154.074228; (23)Topological Polar Surface Area: 44.2; (24)Heavy Atom Count: 11; (25)Formal Charge: 0; (26)Complexity: 107.

When dealing with this chemical, you should be careful. For being irritating to eyes, respiratory system and skin, you should wear suitable protective clothing. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: COC(C1=NC=NC=C1)OC
(2)InChI: InChI=1S/C7H10N2O2/c1-10-7(11-2)6-3-4-8-5-9-6/h3-5,7H,1-2H3
(3)InChIKey: QZBWJPFALVAAPM-UHFFFAOYSA-N

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