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N-Boc-1-aminocyclobutanecarboxylic acid

  • Name N-Boc-1-aminocyclobutanecarboxylic acid
  • EINECSN/A
  • CAS No. 120728-10-1
  • Density1.18 g/cm3
  • PSA75.63000
  • LogP1.90930
  • SolubilityN/A
  • Melting Point129-133 °C(lit.)
  • FormulaC10H17NO4
  • Boiling Point362.1 °C at 760 mmHg
  • Molecular Weight215.249
  • Flash Point172.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety36
  • Risk Codes22
  • Molecular Structure
    Molecular Structure of 120728-10-1 (N-Boc-1-aminocyclobutanecarboxylic acid)
  • Hazard SymbolsHarmfulXn
  • SynonymsHarmfulXn
  • Article Data19

N-Boc-1-aminocyclobutanecarboxylic acid Specification

The CAS register number of Cyclobutanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]- is 120728-10-1. It also can be called as 1-(Boc-amino)cyclobutanecarboxylic acid and the IUPAC name about this chemical is 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid. The molecular formula about this chemical is C10H17NO4 and the molecular weight is 215.25. It belongs to the following product categories, such as Amino Acids and Derivatives; Pharmacetical; Peptide and so on. This chemical is harmful if swallowed. When you are using it, wear suitable protective clothing.

Physical properties about Cyclobutanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]- are: (1)ACD/LogP: 1.16; (2)ACD/LogD (pH 5.5): -0.6; (3)ACD/LogD (pH 7.4): -2.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.77; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 55.84Å2; (12)Index of Refraction: 1.499; (13)Molar Refractivity: 53.47 cm3; (14)Molar Volume: 181.8 cm3; (15)Polarizability: 21.19x10-24cm3; (16)Surface Tension: 44.4 dyne/cm; (17)Enthalpy of Vaporization: 66.78 kJ/mol; (18)Boiling Point: 362.1 °C at 760 mmHg; (19)Vapour Pressure: 3.16E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC1(C(=O)O)CCC1
(2)InChI: InChI=1/C10H17NO4/c1-9(2,3)15-8(14)11-10(7(12)13)5-4-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)
(3)InChIKey: ROVVUKFHORPDSM-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-10(7(12)13)5-4-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)
(5)Std. InChIKey: ROVVUKFHORPDSM-UHFFFAOYSA-N

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