Product Name

  • Name

    (R)-1-CBZ-3-PYRROLIDINOL

  • EINECS
  • CAS No. 100858-33-1
  • Article Data27
  • CAS DataBase
  • Density 1.263 g/cm3
  • Solubility
  • Melting Point 74-79 °C
  • Formula C12H15NO3
  • Boiling Point 370.7 °C at 760 mmHg
  • Molecular Weight 221.256
  • Flash Point 178 °C
  • Transport Information UN 2811 6.1/PG 3
  • Appearance
  • Safety 26-45
  • Risk Codes 25-36/37/38
  • Molecular Structure Molecular Structure of 100858-33-1 ((R)-1-CBZ-3-PYRROLIDINOL)
  • Hazard Symbols ToxicT
  • Synonyms 1-Pyrrolidinecarboxylicacid, 3-hydroxy-, phenylmethyl ester, (R)-;(R)-1-Benzyloxycarbonyl-3-pyrrolidinol;Benzyl (3R)-3-hydroxy-1-pyrrolidinecarboxylate;
  • PSA 49.77000
  • LogP 1.32770

(R)-(-)-1-Cbz-3-pyrrolidinol Specification

The CAS register number of (R)-(-)-1-Cbz-3-pyrrolidinol is 100858-33-1. It also can be called as (R)-3-Hydroxy-pyrrolidine-1-carboxylic acid benzyl ester and the systematic name about this chemical is benzyl (3R)-3-hydroxypyrrolidine-1-carboxylate. The molecular formula about this chemical is C12H15NO3 and the molecular weight is 221.25.

Physical properties about (R)-(-)-1-Cbz-3-pyrrolidinol are: (1)ACD/LogP: 0.54; (2)ACD/LogD (pH 5.5): 0.54; (3)ACD/LogD (pH 7.4): 0.54; (4)ACD/BCF (pH 5.5): 1.51; (5)ACD/BCF (pH 7.4): 1.51; (6)ACD/KOC (pH 5.5): 46.7; (7)ACD/KOC (pH 7.4): 46.7; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 38.77Å2; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 59.04 cm3; (14)Molar Volume: 175 cm3; (15)Polarizability: 23.4x10-24cm3; (16)Surface Tension: 57.1 dyne/cm; (17)Enthalpy of Vaporization: 65.16 kJ/mol; (18)Boiling Point: 370.7 °C at 760 mmHg; (19)Vapour Pressure: 3.75E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed and it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CC[C@@H](O)C2
(2)InChI: InChI=1/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m1/s1
(3)InChIKey: MBLJFGOKYTZKMH-LLVKDONJBN
(4)Std. InChI: InChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m1/s1
(5)Std. InChIKey: MBLJFGOKYTZKMH-LLVKDONJSA-N

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