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2870-82-8

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Basic Information
CAS No.: 2870-82-8
Name: N-(4-methylphenyl)hexopyranosylamine
Molecular Structure:
Molecular Structure of 2870-82-8 (N-(4-methylphenyl)hexopyranosylamine)
Formula: C13H19NO5
Molecular Weight: 269.298
Density: 1.43 g/cm3
Boiling Point: 517.1 °C at 760 mmHg
Flash Point: 266.6 °C
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Specification

The CAS register number of 2-(Hydroxymethyl)-6-[(4-methylphenyl)amino]oxane-3,4,5-triol is 2870-82-8. The systematic name about this chemical is N-(4-methylphenyl)hexopyranosylamine. The molecular formula about this chemical is C13H19NO5 and the molecular weight is 269.29756.

Physical properties about 2-(Hydroxymethyl)-6-[(4-methylphenyl)amino]oxane-3,4,5-triol are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 49.39 Å2; (7)Index of Refraction: 1.662; (8)Molar Refractivity: 69.71 cm3; (9)Molar Volume: 188.2 cm3; (10)Polarizability: 27.63x10-24cm3; (11)Surface Tension: 66.2 dyne/cm; (12)Density: 1.43 g/cm3; (13)Flash Point: 266.6 °C; (14)Enthalpy of Vaporization: 83.11 kJ/mol; (15)Boiling Point: 517.1 °C at 760 mmHg; (16)Vapour Pressure: 1.61E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC2OC(Nc1ccc(cc1)C)C(O)C(O)C2O
(2)InChI: InChI=1/C13H19NO5/c1-7-2-4-8(5-3-7)14-13-12(18)11(17)10(16)9(6-15)19-13/h2-5,9-18H,6H2,1H3
(3)InChIKey: SCLFETMCMRCGEO-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C13H19NO5/c1-7-2-4-8(5-3-7)14-13-12(18)11(17)10(16)9(6-15)19-13/h2-5,9-18H,6H2,1H3
(5)Std. InChIKey: SCLFETMCMRCGEO-UHFFFAOYSA-N