6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine supplier

Name
6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine
EINECS
CAS No. 101622-50-8
Density 1.36 g/cm³
Solubility Soluble in DMSO or methanol.
Melting Point
Formula C₁₅H₁₈N₆O
Boiling Point 579.6 °C at 760 mmHg
Molecular Weight 298.348
Flash Point 304.3 °C
Transport Information
Appearance Off-white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(2-Hydroxyethylamino)-6-benzylamino-7-methylpurine;6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine;Isoolomoucine;
PSA 87.89000
LogP 1.52560

6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine Specification

The 6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine, with the CAS registry number 101622-50-8, is also known as 6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine. This chemical's molecular formula is C₁₅H₁₈N₆O and formula weight is 298.34. What's more, its systematic name is called 2-{[6-(benzylamino)-7-methyl-7H-purin-2-yl]amino}ethanol. This chemical is off-white solid.

Physical properties of 6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.78; (4)ACD/LogD (pH 7.4): -0.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.28; (8)ACD/KOC (pH 7.4): 20.63; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.69; (13)Molar Refractivity: 83.92 cm³; (14)Molar Volume: 219.3 cm³; (15)Surface Tension: 56 dyne/cm; (16)Density: 1.36 g/cm³; (17)Flash Point: 304.3 °C; (18)Enthalpy of Vaporization: 91.21 kJ/mol; (19)Boiling Point: 579.6 °C at 760 mmHg; (20)Vapour Pressure: 2.83E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c2c(nc1NCCO)ncn2C)NCc3ccccc3
(2)InChI: InChI=1/C15H18N6O/c1-21-10-18-14-12(21)13(19-15(20-14)16-7-8-22)17-9-11-5-3-2-4-6-11/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
(3)InChIKey: WOQKMUDQRKXVLO-UHFFFAOYAS

Product Name

6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine

6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine Specification

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