Benzyl 3-hydroxyazetidine-1-carboxylate supplier

Name
Benzyl 3-hydroxyazetidine-1-carboxylate
EINECS 828-243-5
CAS No. 128117-22-6
Article Data20
CAS DataBase
Density 1.317 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃NO₃
Boiling Point 356.687 °C at 760 mmHg
Molecular Weight 207.229
Flash Point 169.518 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Cbz-3-hydroxyazetidine;N-Cbz-3-hydroxyazetidine;
PSA 49.77000
LogP 0.93760

Benzyl 3-hydroxyazetidine-1-carboxylate Specification

This chemical has the systematic name Benzyl 3-hydroxyazetidine-1-carboxylate. With the CAS registry number 128117-22-6, it is also known as 1-N-Cbz-3-Hydroxyazetidine. Its molecular formula is C₁₁H₁₃NO₃and its molecular weight is 207.22582.

Other characteristics of the Benzyl 3-hydroxyazetidine-1-carboxylate can be summarised as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42; (8)ACD/KOC (pH 7.4): 42; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.77 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 54.43 cm³; (15)Molar Volume: 157.342 cm³; (16)Polarizability: 21.578×10^-24cm³; (17)Surface Tension: 61.869 dyne/cm; (18)Density: 1.317 g/cm³; (19)Flash Point: 169.518 °C; (20)Enthalpy of Vaporization: 63.52 kJ/mol; (21)Boiling Point: 356.687 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCc1ccccc1)N2CC(O)C2
2.InChI: InChI=1/C11H13NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
3.InChIKey: XJWSNDGCJMGHSR-UHFFFAOYAC

Product Name

Benzyl 3-hydroxyazetidine-1-carboxylate

Benzyl 3-hydroxyazetidine-1-carboxylate Specification

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