Product Name

  • Name

    4-(4-CARBOXYBENZYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

  • EINECS
  • CAS No. 479353-63-4
  • Article Data3
  • CAS DataBase
  • Density 1.201 g/cm3
  • Solubility
  • Melting Point 196 ºC
  • Formula C17H24 N2 O4
  • Boiling Point 452.6 ºC at 760 mmHg
  • Molecular Weight 320.389
  • Flash Point 227.5ºC
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 479353-63-4 (4-(4-CARBOXYBENZYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER)
  • Hazard Symbols Xi
  • Synonyms 4-[[4-(tert-Butoxycarbonyl)piperazin-1-yl]methyl]benzoicacid
  • PSA 70.08000
  • LogP 2.31330

4-(Piperazin-1-yl)methylbenzoic acid, N4-BOC protected Chemical Properties


Systematic Name: 4-{[4-(tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid
SMILES: O=C(OC(C)(C)C)N2CCN(Cc1ccc(C(=O)O)cc1)CC2 
InChI: InChI=1/C17H24N2O4/c1-17(2,3)23-16(22)19-10-8-18(9-11-19)12-13-4-6-14(7-5-13)15(20)21/h4-7H,8-12H2,1-3H3,(H,20,21)
InChIKey: JGOFKAHLQQITIG-UHFFFAOYAI
Empirical Formula: C17H24N2O4
Molecular Weight: 320.3835
Nominal Mass: 320 
Average Mass: 320.3835 
Monoisotopic Mass: 320.173607 
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 5
Index of Refraction: 1.562
Molar Refractivity: 86.49 cm3
Molar Volume: 266.5 cm3
Surface Tension: 50.2 dyne/cm
Density: 1.201 g/cm3
Flash Point: 227.5 °C
Enthalpy of Vaporization: 75.01 kJ/mol
Boiling Point: 452.6 °C at 760 mmHg
Vapour Pressure: 5.57E-09 mmHg at 25 °C
Melting Point: 196 °C
Product Categories of 4-(Piperazin-1-yl)methylbenzoic acid, N4-BOC protected (CAS NO.479353-63-4): Carboxylic Acids; Phenyls & Phenyl-Het; Carboxylic Acids; Phenyls & Phenyl-Het

4-(Piperazin-1-yl)methylbenzoic acid, N4-BOC protected Safety Profile

Hazard Codes: IrritantXi
Hazard Note of 4-(Piperazin-1-yl)methylbenzoic acid, N4-BOC protected (CAS NO.479353-63-4): Irritant

4-(Piperazin-1-yl)methylbenzoic acid, N4-BOC protected Specification

  4-(Piperazin-1-yl)methylbenzoic acid, N4-BOC protected (CAS NO.479353-63-4), its Synonyms are 1-Piperazinecarboxylic acid, 4-[(4-carboxyphenyl)methyl]-, 1-(1,1-dimethylethyl) ester ; 4-{[4-(tert-Butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid ; 4-{[4-(tert-Butoxycarbonyl)piperazino]methyl}benzoic acid ; 1-Boc-4-(4-carboxybenzyl)piperazine ; 4-[(4-Carboxyphenyl)methyl]-1-piperazine caroxylic acid, 1-(1,1-dimethylethyl) ester .

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