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(R)-3-(Boc-amino)-2-methylpropionic acid

  • Name (R)-3-(Boc-amino)-2-methylpropionic acid
  • EINECSN/A
  • CAS No. 132696-45-8
  • Density1.102 g/cm3
  • PSA75.63000
  • LogP1.62270
  • SolubilityN/A
  • Melting Point88 °C(lit.)
  • FormulaC9H17NO4
  • Boiling Point339.502 °C at 760 mmHg
  • Molecular Weight203.238
  • Flash Point159.125 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 132696-45-8 ((R)-3-(BOC-AMINO)-2-METHYLPROPIONIC ACID)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data16

(R)-3-(Boc-amino)-2-methylpropionic acid Specification

This chemical is called Boc-R-3-Aminoisobutyric acid, and its systematic name is (2R)-3-[(tert-butoxycarbonyl)amino]-2-methylpropanoic acid. With the molecular formula of C9H17NO4, its product category is N-BOC. The CAS registry number of this chemical is 132696-45-8. Additionally, it should be stored at 2-8°C.

Other characteristics of the Boc-R-3-Aminoisobutyric acid can be summarised as followings: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 75.63 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 50.603 cm3; (15)Molar Volume: 184.445 cm3; (16)Polarizability: 20.061×10-24cm3; (17)Surface Tension: 37.747 dyne/cm; (18)Density: 1.102 g/cm3; (19)Flash Point: 159.125 °C; (20)Enthalpy of Vaporization: 64.067 kJ/mol; (21)Boiling Point: 339.502 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OC(C)(C)C)NC[C@H](C(=O)O)C
2.InChI: InChI=1/C9H17NO4/c1-6(7(11)12)5-10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1
3.InChIKey: GDQRNRYMFXDGMS-ZCFIWIBFBJ

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