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849100-03-4
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Basic Information
CAS No.: 849100-03-4
Name: 4-Methylpyridine-2-boronic acid N-phenyldiethanolamine ester
Molecular Structure:
Molecular Structure of 849100-03-4 (4-Methylpyridine-2-boronic acid N-phenyldiethanolamine ester)
Formula: C16H19BN2O2
Molecular Weight: 282.14
Synonyms: 4-Methyl-2-pyridineboronic acid N-phenyldiethanolamine ester;
Density: 1.14 g/cm3
Melting Point: 267-271 °C
Boiling Point: 483.1 °C at 760 mmHg
Flash Point: 246 °C
Hazard Symbols: HarmfulXn, FlammableF
Risk Codes: 11-41-67
Safety: 26-39
Transport Information: UN 3175
PSA: 34.59000
LogP: 1.70360
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Specification

The systematic name of 4-Methylpyridine-2-boronic acid N-phenyldiethanolamine ester is 2-(4-Methylpyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane. With the CAS registry number 849100-03-4, it is also named as 4-Methyl-2-pyridineboronic acid N-phenyldiethanolamine ester. In addition, its molecular formula is C16H19BN2O2 and its molecular weight is 282.14. 

The other characteristics of 4-Methylpyridine-2-boronic acid N-phenyldiethanolamine ester can be summarized as: (1)H bond acceptors: 4; (2)H bond donors: 0; (3)Freely Rotating Bonds: 2; (4)Nominal mass: 282; (5)Average mass: 282.1453; (6)Monoisotopic mass: 282.153959; (7)Polar Surface Area: 34.59 Å2; (8)Index of Refraction: 1.572; (9)Molar Refractivity: 81.2 cm3; (10)Molar Volume: 246.6 cm3; (11)Polarizability: 32.19×10-24cm3; (12)Surface Tension: 46.2 dyne/cm; (13)Density: 1.14 g/cm3; (14)Flash Point: 246 °C; (15)Enthalpy of Vaporization: 74.82 kJ/mol; (16)Boiling Point: 483.1 °C at 760 mmHg; (17)Vapour Pressure: 1.72E-09 mmHg at 25 °C; (18)Melting point: 267-271 °C.

When you are using this chemical, please be cautious about it as the following: 4-Methylpyridine-2-boronic acid N-phenyldiethanolamine ester is highly flammable and risk of serious damage to the eyes. Besides, its vapours may cause drowsiness and dizziness. Please wear eye / face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O2B(OCCN(c1ccccc1)CC2)c3nccc(c3)C
(2)InChI:InChI=1/C16H19BN2O2/c1-14-7-8-18-16(13-14)17-20-11-9-19(10-12-21-17)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
(3)InChIKey:AJDLFXRVLIIZQL-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C16H19BN2O2/c1-14-7-8-18-16(13-14)17-20-11-9-19(10-12-21-17)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
(5)Std. InChIKey:AJDLFXRVLIIZQL-UHFFFAOYSA-N