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100858-32-0

Basic Information
CAS No.: 100858-32-0
Name: (S)-1-CBZ-3-PYRROLIDINOL 95
Article Data: 18
Molecular Structure:
Molecular Structure of 100858-32-0 ((S)-1-CBZ-3-PYRROLIDINOL  95)
Formula: C12H15NO3
Molecular Weight: 221.256
Synonyms: 1-Pyrrolidinecarboxylicacid, 3-hydroxy-, phenylmethyl ester, (S)-;(S)-1-Benzyloxycarbonyl-3-pyrrolidinol;
Density: 1.263 g/cm3
Melting Point: 71-77 °C
Boiling Point: 370.7 °C at 760 mmHg
Flash Point: 178 °C
Hazard Symbols: ToxicT
Risk Codes: 25-36/37/38
Safety: 26-36-45
Transport Information: UN 2811 6.1/PG 3
PSA: 49.77000
LogP: 1.32770
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  • (S)-(+)-1-Cbz-3-pyrrolidinol

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Specification

The CAS register number of (S)-(+)-1-Cbz-3-pyrrolidinol is 100858-32-0. It also can be called as (S)-3-Hydroxy-pyrrolidine-1-carboxylic acid benzyl ester and the systematic name about this chemical is benzyl (3S)-3-hydroxypyrrolidine-1-carboxylate. It belongs to the Pyrrole&Pyrrolidine&Pyrroline.

Physical properties about (S)-(+)-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)#H bond acceptors: 4; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 49.77Å2; (8)Index of Refraction: 1.589; (9)Molar Refractivity: 59.04 cm3; (10)Molar Volume: 175 cm3; (11)Polarizability: 23.4x10-24cm3; (12)Surface Tension: 57.1 dyne/cm; (13)Enthalpy of Vaporization: 65.16 kJ/mol; (14)Boiling Point: 370.7 °C at 760 mmHg; (15)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. When you are using it, wear suitable protective clothing. 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@H]1CCN(C1)C(=O)OCc2ccccc2
(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-/m0/s1
(3)InChIKey: MBLJFGOKYTZKMH-NSHDSACABE
(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-/m0/s1
(5)Std. InChIKey: MBLJFGOKYTZKMH-NSHDSACASA-N