Product Name

  • Name

    (S)-2-(3-(TERT-BUTOXYCARBONYLAMINO)-2-OXOPIPERIDIN-1-YL)ACETICACID

  • EINECS
  • CAS No. 74411-97-5
  • Article Data7
  • CAS DataBase
  • Density 1.248 g/cm3
  • Solubility
  • Melting Point 110-113 °C
  • Formula C12H20N2O5
  • Boiling Point 497.878 °C at 760 mmHg
  • Molecular Weight 272.30
  • Flash Point 254.908 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 74411-97-5 ((S)-2-(3-(TERT-BUTOXYCARBONYLAMINO)-2-OXOPIPERIDIN-1-YL)ACETICACID)
  • Hazard Symbols
  • Synonyms 1-Piperidineaceticacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-, (S)-;
  • PSA 95.94000
  • LogP 0.91550

(S)-2-(3-(tert-Butoxycarbonylamino)-2-oxopiperidin-1-yl)acetic acid Specification

The (S)-2-(3-(tert-Butoxycarbonylamino)-2-oxopiperidin-1-yl)acetic acid is an organic compound with the formula C12H20N2O5. The systematic name of this chemical is {(3S)-3-[(tert-butoxycarbonyl)amino]-2-oxopiperidin-1-yl}acetic acid. With the CAS registry number 74411-97-5, it is also named as 1-Piperidineacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-, (3S)-. The product's category is Chiral Chemicals.

Physical properties about (S)-2-(3-(tert-Butoxycarbonylamino)-2-oxopiperidin-1-yl)acetic acid are: (1)ACD/LogP: 0.62; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 95.94 Å2; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 66.706 cm3; (14)Molar Volume: 218.192 cm3; (15)Polarizability: 26.444×10-24cm3; (16)Surface Tension: 50.903 dyne/cm; (17)Density: 1.248 g/cm3; (18)Flash Point: 254.908 °C; (19)Enthalpy of Vaporization: 83.857 kJ/mol; (20)Boiling Point: 497.878 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)CCC1
(2)InChI: InChI=1/C12H20N2O5/c1-12(2,3)19-11(18)13-8-5-4-6-14(10(8)17)7-9(15)16/h8H,4-7H2,1-3H3,(H,13,18)(H,15,16)/t8-/m0/s1
(3)InChIKey: GLPLDJICXMMSBB-QMMMGPOBBY
(4)Std. InChI: InChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)13-8-5-4-6-14(10(8)17)7-9(15)16/h8H,4-7H2,1-3H3,(H,13,18)(H,15,16)/t8-/m0/s1
(5)Std. InChIKey: GLPLDJICXMMSBB-QMMMGPOBSA-N

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