Cas no 172348-74-2 (Imidodicarbonic acid, 2-[(4-cyanophenyl)methyl]-,1,3-bis(1,1-dimethylethyl) ester)

Imidodicarbonic acid, 2-[(4-cyanophenyl)methyl]-,1,3-bis(1,1-dimethylethyl) ester structure
172348-74-2 structure
Product Name:Imidodicarbonic acid, 2-[(4-cyanophenyl)methyl]-,1,3-bis(1,1-dimethylethyl) ester
CAS No:172348-74-2
MF:C18H24N2O4
MW:332.394165039063
CID:137282
PubChem ID:3683768
Update Time:2025-04-19

Imidodicarbonic acid, 2-[(4-cyanophenyl)methyl]-,1,3-bis(1,1-dimethylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • Imidodicarbonic acid, 2-[(4-cyanophenyl)methyl]-,1,3-bis(1,1-dimethylethyl) ester
    • N,N-DI-BOC-4-AMINOMETHYL BENZONITRILE
    • tert-butyl N-[(4-cyanophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
    • 4-(di-tert-butoxycarbonylaminomethyl)benzonitrile
    • CS-W020281
    • SCHEMBL1009189
    • 4-{N,N-bis-(tert-butoxycarbonyl)aminomethyl}benzonitrile
    • XAMAFLWCELXNAY-UHFFFAOYSA-N
    • Imidodicarbonic acid,2-[(4-cyanophenyl)methyl]-,1,3-bis(1,1-dimethylethyl)ester
    • di(tert-butyl) 4-cyanobenzylimidodicarbonate
    • N,N-bis(tert-butoxycarbonyl)-4-cyanobenzylamine
    • 172348-74-2
    • AKOS015911049
    • D77882
    • 4{N,N-bis-(tert-butoxycarbonyl)aminomethyl}benzonitrile
    • DTXSID80395002
    • N,N-DI-BOC-4-AMINOMETHYLBENZONITRILE
    • Inchi: 1S/C18H24N2O4/c1-17(2,3)23-15(21)20(16(22)24-18(4,5)6)12-14-9-7-13(11-19)8-10-14/h7-10H,12H2,1-6H3
    • InChI Key: XAMAFLWCELXNAY-UHFFFAOYSA-N
    • SMILES: O(C(N(C(=O)OC(C)(C)C)CC1C=CC(C#N)=CC=1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 332.17400
  • Monoisotopic Mass: 332.174
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 6
  • Complexity: 471
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 79.6?2

Experimental Properties

  • Density: 1.13
  • Boiling Point: 434.6°C at 760 mmHg
  • Flash Point: 216.7°C
  • Refractive Index: 1.524
  • PSA: 79.63000
  • LogP: 4.23048

Imidodicarbonic acid, 2-[(4-cyanophenyl)methyl]-,1,3-bis(1,1-dimethylethyl) ester Related Literature

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