Product Name

  • Name

    4,4-Diethoxy-1-(diethylamino)pentane

  • EINECS
  • CAS No. 54620-52-9
  • Article Data5
  • CAS DataBase
  • Density 0.879 g/cm3
  • Solubility
  • Melting Point
  • Formula C13H29NO2
  • Boiling Point 282.303 °C at 760 mmHg
  • Molecular Weight 231.37
  • Flash Point 76.254 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 54620-52-9 (4,4-Diethoxy-1-(diethylamino)pentane)
  • Hazard Symbols
  • Synonyms 4,4-DIETHOXY-1-(DIETHYLAMINO)PENTANE
  • PSA 21.70000
  • LogP 2.89760

4,4-Diethoxy-1-(diethylamino)pentane Specification

The 4,4-Diethoxy-1-(diethylamino)pentane, with the CAS registry number 54620-52-9, has the systematic name 4,4-diethoxy-N,N-diethylpentan-1-amine. Its molecular formula is C13H29NO2 and its molecular weight is 231.37. 

Other characteristics of the 4,4-Diethoxy-1-(diethylamino)pentane can be summarised as followings: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 21.7 Å2; (12)Index of Refraction: 1.441; (13)Molar Refractivity: 69.454 cm3; (14)Molar Volume: 263.15 cm3; (15)Polarizability: 27.534×10-24cm3; (16)Surface Tension: 28.774 dyne/cm; (17)Density: 0.879 g/cm3; (18)Flash Point: 76.254 °C; (19)Enthalpy of Vaporization: 52.115 kJ/mol; (20)Boiling Point: 282.303 °C at 760 mmHg; (21)Vapour Pressure: 0.003 mmHg at 25°C.

Uses of the 4,4-Diethoxy-1-(diethylamino)pentane: It could react with 5-isopropoxy-8-methoxy-2-methyl-quinolin-6-ylamine to obtain the N1,N1-diethyl-N4-(5-isopropoxy-8-methoxy-2-methyl-quinolin-6-yl)-pentane-1,4-diamine. The yield is 68 %.

the 4,4-Diethoxy-1-(diethylamino)pentane could react with 5-isopropoxy-8-methoxy-2-methyl-quinolin-6-ylamine to obtain the N1,N1-diethyl-N4-(5-isopropoxy-8-methoxy-2-methyl-quinolin-6-yl)-pentane-1,4-diamine

You can still convert the following datas into molecular structure:
1.SMILES: CCOC(C)(CCCN(CC)CC)OCC
2.InChI: InChI=1/C13H29NO2/c1-6-14(7-2)12-10-11-13(5,15-8-3)16-9-4/h6-12H2,1-5H3
3.InChIKey: IUJCCJNKFNXYFK-UHFFFAOYAY

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