N-Cbz-3-hydroxypyrrolidine supplier

Name
3-HYDROXY-1-N-CBZ-PYRROLIDINE
EINECS
CAS No. 95656-88-5
Article Data36
CAS DataBase
Density 1.263 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₃
Boiling Point 370.7 °C at 760 mmHg
Molecular Weight 221.256
Flash Point 178 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Hydroxypyrrolidine-1-carboxylicacid benzyl ester;Benzyl 3-hydroxy-1-pyrrolidinecarboxylate;N-Benzyloxycarbonyl-3-hydroxypyrrolidine;N-Benzyloxycarbonyl-3-pyrrolidinol;
PSA 49.77000
LogP 1.32770

N-Cbz-3-hydroxypyrrolidine Specification

The N-Cbz-3-hydroxypyrrolidine is an organic compound with the formula C₁₂H₁₅NO₃. The systematic name of this chemical is benzyl 3-hydroxypyrrolidine-1-carboxylate. With the CAS registry number 95656-88-5, it is also named as 3-Hydroxypyrrolidine-1-carboxylic acid benzyl ester. The product's categories are Alcohols and Derivatives. In addition, the molecular weight is 221.25.

The other characteristics of N-Cbz-3-hydroxypyrrolidine can be summarized as: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 1.51; (6)ACD/BCF (pH 7.4): 1.51; (7)ACD/KOC (pH 5.5): 46.7; (8)ACD/KOC (pH 7.4): 46.7; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 59.04 cm³; (15)Molar Volume: 175 cm³; (16)Polarizability: 23.4×10^-24 cm³; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.263 g/cm³; (19)Flash Point: 178 °C; (20)Enthalpy of Vaporization: 65.16 kJ/mol; (21)Boiling Point: 370.7 °C at 760 mmHg; (22)Vapour Pressure: 3.75E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCc1ccccc1)N2CCC(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
3. InChIKey:MBLJFGOKYTZKMH-UHFFFAOYAM
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
5. Std. InChIKey:MBLJFGOKYTZKMH-UHFFFAOYSA-N

Product Name

3-HYDROXY-1-N-CBZ-PYRROLIDINE

N-Cbz-3-hydroxypyrrolidine Specification

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