N-Benzyl-3-(hydroxymethyl)azetidine supplier

Name
N-Benzyl-3-(hydroxymethyl)azetidine
EINECS
CAS No. 99025-94-2
Article Data3
CAS DataBase
Density 1.115 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₅NO
Boiling Point 235.7 °C at 760 mmHg
Molecular Weight 177.246
Flash Point 89.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Benzyl-3-(hydroxymethyl)azetidine;(1-benzylazetidin-3-yl)methanol
PSA 23.47000
LogP 1.04860

N-Benzyl-3-(hydroxymethyl)azetidine Specification

The N-Benzyl-3-(hydroxymethyl)azetidine, with the CAS registry number 99025-94-2, has the systematic name of (1-benzylazetidin-3-yl)methanol. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₁₁H₁₅NO.

The characteristics of N-Benzyl-3-(hydroxymethyl)azetidine are as followings: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 12.47 Å²; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 52.79 cm³; (9)Molar Volume: 158.9 cm³; (10)Polarizability: 20.93×10^-24cm³; (11)Surface Tension: 46.8 dyne/cm; (12)Density: 1.115 g/cm³; (13)Flash Point: 89.8 °C; (14)Enthalpy of Vaporization: 49.93 kJ/mol; (15)Boiling Point: 235.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0272 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCC2CN(Cc1ccccc1)C2
(2)InChI: InChI=1/C11H15NO/c13-9-11-7-12(8-11)6-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
(3)InChIKey: ZDTSHVGCSDAFJH-UHFFFAOYAA

Product Name

N-Benzyl-3-(hydroxymethyl)azetidine

N-Benzyl-3-(hydroxymethyl)azetidine Specification

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