Cas no 452077-13-3 (Imidodicarbonicacid, 2-(2-aminophenyl)-, 1,3-bis(1,1-dimethylethyl) ester)

Imidodicarbonicacid, 2-(2-aminophenyl)-, 1,3-bis(1,1-dimethylethyl) ester structure
452077-13-3 structure
Product Name:Imidodicarbonicacid, 2-(2-aminophenyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS No:452077-13-3
MF:C16H24N2O4
MW:308.372764587402
CID:328547
PubChem ID:17750363
Update Time:2025-07-08

Imidodicarbonicacid, 2-(2-aminophenyl)-, 1,3-bis(1,1-dimethylethyl) ester Chemical and Physical Properties

Names and Identifiers

    • Imidodicarbonicacid, 2-(2-aminophenyl)-, 1,3-bis(1,1-dimethylethyl) ester
    • N,N-DI-TERT-BUTOXYCARBONYL-BENZENE-1,2-DIAMINE
    • tert-butyl N-(2-aminophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
    • N,N-Di-Boc-benzene-1,2-diamine
    • 452077-13-3
    • Di-tert-butyl (2-aminophenyl)-2-imidodicarbonate
    • N-(2-aminophenyl)-N-[(2-methylpropan-2-yl)oxy-oxomethyl]carbamic acid tert-butyl ester
    • A826741
    • AKOS015996015
    • Imidodicarbonicacid,2-(2-aminophenyl)-,1,3-bis(1,1-dimethylethyl)ester
    • MFCD06796408
    • DTXSID70590463
    • MDL： MFCD06796408
    • Inchi： 1S/C16H24N2O4/c1-15(2,3)21-13(19)18(14(20)22-16(4,5)6)12-10-8-7-9-11(12)17/h7-10H,17H2,1-6H3
    • InChI Key： PJICXVCMEYAGPF-UHFFFAOYSA-N
    • SMILES： O(C(N(C1C=CC=CC=1N)C(=O)OC(C)(C)C)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 308.17400
  • Monoisotopic Mass: 308.17360725g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7
  • Complexity: 381
  • 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: 3.2
  • Topological Polar Surface Area: 81.9?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.1±0.1 g/cm3
  • Melting Point: 119-120°C
  • Boiling Point: 390.9±44.0 °C at 760 mmHg
  • Flash Point: 178.0±23.7 °C
  • PSA: 81.86000
  • LogP: 4.52660

Imidodicarbonicacid, 2-(2-aminophenyl)-, 1,3-bis(1,1-dimethylethyl) ester Security Information

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