Product Name

  • Name

    SELICICLIB

  • EINECS
  • CAS No. 186692-44-4
  • Article Data2
  • CAS DataBase
  • Density 1.25 g/cm3
  • Solubility
  • Melting Point
  • Formula C19H26N6O
  • Boiling Point 577.5 °C at 760 mmHg
  • Molecular Weight 354.455
  • Flash Point 303.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 186692-44-4 (SELICICLIB)
  • Hazard Symbols
  • Synonyms 1-butanol, 2-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-;2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino] -(R)-1-butanol;2-{[6-(Benzylamino)-9-isopropyl-9H-purin-2-yl]amino}butan-1-ol
  • PSA 91.12000
  • LogP 2.69700

2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol Specification

This chemical is called 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol, and its systematic name is 2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol. With the molecular formula of C19H26N6O, its molecular weight is 354.45. The CAS registry number of this chemical is 186692-44-4.

Other characteristics of the 2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol can be summarised as followings: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 3.38; (6)ACD/BCF (pH 7.4): 10.87; (7)ACD/KOC (pH 5.5): 59.24; (8)ACD/KOC (pH 7.4): 190.51; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 59.31 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 101.98 cm3; (15)Molar Volume: 281.8 cm3; (16)Polarizability: 40.43×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 303.1 °C; (20)Enthalpy of Vaporization: 90.94 kJ/mol; (21)Boiling Point: 577.5 °C at 760 mmHg; (22)Vapour Pressure: 3.52E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: n1c(c2ncn(c2nc1NC(CC)CO)C(C)C)NCc3ccccc3
2.InChI: InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)
3.InChIKey: BTIHMVBBUGXLCJ-UHFFFAOYAA

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View