Product Name

  • Name

    (R)-2-CARBOXYMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

  • EINECS
  • CAS No. 351410-32-7
  • Article Data3
  • CAS DataBase
  • Density 1.121 g/cm3
  • Solubility
  • Melting Point 93-97 °C
  • Formula C12H21NO4
  • Boiling Point 373 °C at 760 mmHg
  • Molecular Weight 243.303
  • Flash Point 179.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 351410-32-7 ((R)-2-CARBOXYMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER)
  • Hazard Symbols
  • Synonyms (R)-2-Carboxymethyl-piperidine-1-carboxylic acid tert-butyl ester;
  • PSA 66.84000
  • LogP 2.18860

2-Piperidineaceticacid, 1-[(1,1-dimethylethoxy)carbonyl]-, (2R)- Specification

The 2-Piperidineaceticacid, 1-[(1, 1-dimethylethoxy)carbonyl]-, (2R)-, with the CAS registry number of 351410-32-7, is also known as (R)-2-Carboxymethyl-piperidine-1-carboxylic acid tert-butyl ester and (R)-Boc-(2-carboxymethyl)-piperidine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C12H21NO4 and molecular weight is 243.3. What's more, its systematic name is called [(2R)-1-(tert-Butoxycarbonyl)piperidin-2-yl]acetic acid.

Physical properties about 2-Piperidineaceticacid, 1-[(1, 1-dimethylethoxy)carbonyl]-, (2R)- are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): -1.17; (5)ACD/BCF (pH 5.5): 1.12; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.01; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 62.33 cm3; (15)Molar Volume: 216.8 cm3; (16)Polarizability: 24.7×10-24 cm3; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.121 g/cm3; (19)Flash Point: 179.4 °C; (20)Enthalpy of Vaporization: 68.1 kJ/mol; (21)Boiling Point: 373 °C at 760 mmHg; (22)Vapour Pressure: 1.37E-06 mmHg at 25 °C; (23)Melting Point: 93-97 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N1[C@H](CCCC1)CC(=O)O
(2) InChI: InChI=1/C12H21NO4/c1-12(2,3)17-11(16)13-7-5-4-6-9(13)8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m1/s1
(3) InChIKey: CKAXJDBTNNEENW-SECBINFHBS

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