Product Name

  • Name

    1-Pyrrolidinecarboxylicacid,3-(methylamino)-,1,1-dimethylethylester,(3S)-(9CI)

  • EINECS
  • CAS No. 147081-59-2
  • Article Data5
  • CAS DataBase
  • Density 1.032 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H20N2O2
  • Boiling Point 269.445 °C at 760 mmHg
  • Molecular Weight 200.281
  • Flash Point 116.757 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 147081-59-2 (1-Pyrrolidinecarboxylicacid,3-(methylamino)-,1,1-dimethylethylester,(3S)-(9CI))
  • Hazard Symbols
  • Synonyms 1-Pyrrolidinecarboxylicacid, 3-(methylamino)-, 1,1-dimethylethyl ester, (S)-;tert-Butyl(3S)-3-(methylamino)pyrrolidine-1-carboxylate;
  • PSA 41.57000
  • LogP 1.54400

1-Pyrrolidinecarboxylic acid, 3-(methylamino)-, 1,1-dimethylethyl ester, (3S)- Specification

This chemical is called 1-Pyrrolidinecarboxylic acid, 3-(methylamino)-, 1,1-dimethylethyl ester, (3S)-, and its systematic name is tert-Butyl-(3S)-3-(methylamino)pyrrolidin-1-carboxylat. With the molecular formula of C10H20N2O2, its CAS registry number of this chemical is 147081-59-2. Additionally, its product category is Aminoacid.  

Other characteristics of the 1-Pyrrolidinecarboxylic acid, 3-(methylamino)-, 1,1-dimethylethyl ester, (3S)- can be summarised as followings: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 41.57 Å2; (7)Index of Refraction: 1.485; (8)Molar Refractivity: 55.67 cm3; (9)Molar Volume: 194 cm3; (10)Polarizability: 22.07×10-24cm3; (11)Surface Tension: 36 dyne/cm; (12)Density: 1.03 g/cm3; (13)Flash Point: 116.8 °C; (14)Enthalpy of Vaporization: 50.76 kJ/mol; (15)Boiling Point: 269.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00725 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OC(=O)N1CCC(C1)NC
2.InChI: InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-6-5-8(7-12)11-4/h8,11H,5-7H2,1-4H3/t8-/m0/s1
3.InChIKey: OKUCEQDKBKYEJY-QMMMGPOBBT

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