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Home> Encyclopedia > Hot Product Listed C   > Carbamic acid,[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyrrolidinyl]-,1,1-dimethylethyl est...
886365-38-4 structure

Carbamic acid,[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyrrolidinyl]-,1,1-dimethylethyl ester (9CI)

Iupac Name:tert-butyl N-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]carbamate
CAS No.:886365-38-4
Molecular Weight:373.42
Molecular Formula:C18H26F3N3O2 (isomer)
Names and Identifiers
Synonyms

(1-[2-amino-1-(4-trifluoromethyl-phenyl)-ethyl]-pyrrolidin-3-yl)-carbamic acid tert-butyl ester [1-[2-amino-1-(4-trifluoromethyl-phenyl)-ethyl]-pyrrolidin-3-yl]-carbamic acid tert-butyl ester {1-[2-amino-1-(4-trifluoromethyl-phenyl)-ethyl]-pyrrolidin-3-yl}-carbamic acid tert-butyl ester 3-n-boc-amino-1-[2-amino-1-(4-trifluoromethyl phenyl)ethyl]pyrrolidine 3-n-boc-amino-1-[2-amino-1-(4-trifluoromethylphenyl)ethyl]pyrrolidine 3-n-boc-amino-1-[2-amino-1-(4-trifluoromethyl-phenyl)-ethyl]-pyrrolidine A13666 AB32413 AK401861 AKOS027383822 Carbamic DTXSID00661498 HE065287 HE118708 mfcd07369909 tert-Buty tert-butyl (1-(2-amino-1-(4-(trifluoromethyl)phenyl)ethyl)pyrrolidin-3-yl)carbamate tert-butyl (1-{2-amino-1-[4-(trifluoromethyl)phenyl]ethyl}pyrrolidin-3-yl)carbamate tert-butyl 1-(2-amino-1-(4-(trifluoromethyl)phenyl)ethyl)pyrrolidin-3-ylcarbamate tert-butyl n-(1-{2-amino-1-[4-(trifluoromethyl)phenyl]ethyl}pyrrolidin-3-yl)carbamate

Inchi
InChI=1S/C18H26F3N3O2/c1-17(2,3)26-16(25)23-14-8-9-24(11-14)15(10-22)12-4-6-13(7-5-12)18(19,20)21/h4-7,14-15H,8-11,22H2,1-3H3,(H,23,25)
InChkey
ASGBDICQONEGBH-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)NC1CCN(C1)C(CN)C2=CC=C(C=C2)C(F)(F)F
Properties
Density
1.22
Boiling Point
444.4°C at 760 mmHg
Refractive Index
1.525
Flash Point
222.6°C
Computational chemical data
  • Molecular Weight:373.42g/mol
  • Molecular Formula:C18H26F3N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:373.198
  • Monoisotopic Mass:373.198
  • Complexity:471
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:67.6A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MYAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHwAQAAAADGzBmBQyCIPABACI AiBCGACCAAAgAAAIiIAIBIkIYCKA0RGcIAhglgCIiAcQgMAOQAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
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