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| CAS No.: | 99025-94-2 |
|---|---|
| Name: | N-Benzyl-3-(hydroxymethyl)azetidine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H15NO |
| Molecular Weight: | 177.246 |
| Synonyms: | N-Benzyl-3-(hydroxymethyl)azetidine;(1-benzylazetidin-3-yl)methanol |
| Density: | 1.115 g/cm3 |
| Boiling Point: | 235.7 °C at 760 mmHg |
| Flash Point: | 89.8 °C |
| PSA: | 23.47000 |
| LogP: | 1.04860 |
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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