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3-Pyrrolidinamine,N,1-bis(phenylmethyl)-

  • Name 3-Pyrrolidinamine,N,1-bis(phenylmethyl)-
  • EINECSN/A
  • CAS No. 108963-20-8
  • Density1.08 g/cm3
  • PSA15.27000
  • LogP3.37950
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC18H22N2
  • Boiling Point385.9 °C at 760 mmHg
  • Molecular Weight266.386
  • Flash Point145 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk Codes22
  • Molecular Structure
    Molecular Structure of 108963-20-8 (N,N'-DIBENZYL-3-AMINOPYRROLIDINE)
  • Hazard SymbolsXn
  • SynonymsXn
  • Article Data7

3-Pyrrolidinamine,N,1-bis(phenylmethyl)- Specification

The 3-Pyrrolidinamine,N,1-bis(phenylmethyl)-, with the CAS registry number 108963-20-8, is also known as N,N'-Dibenzyl-3-aminopyrrolidine. It belongs to the product categories of 3-Aminopyrrolidines; 3-Aminopyrrolidines (Racemic). This chemical's molecular formula is C18H22N2 and molecular weight is 266.38. What's more, both its IUPAC name and systematic name are the same which is called N,1-Dibenzylpyrrolidin-3-amine. It can be used as chemical reagent.

Physical properties about 3-Pyrrolidinamine,N,1-bis(phenylmethyl)- are: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.31; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 18.41; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 15.27 Å2; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 84.71 cm3; (14)Molar Volume: 244.5 cm3; (15)Surface Tension: 47.1 dyne/cm; (16)Density: 1.08 g/cm3; (17)Flash Point: 145 °C; (18)Enthalpy of Vaporization: 63.48 kJ/mol; (19)Boiling Point: 385.9 °C at 760 mmHg; (20)Vapour Pressure: 3.68E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c3cc(CN1CCC(C1)NCc2ccccc2)ccc3
(2) InChI: InChI=1/C18H22N2/c1-3-7-16(8-4-1)13-19-18-11-12-20(15-18)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
(3) InChIKey: BHEXKVGLZMEJRQ-UHFFFAOYAB

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