(1-Benzhydrylazetidin-3-yl)methanol supplier

Name
1-(DIPHENYLMETHYL)-3-(HYDROXYMETHYL)AZETIDINE
EINECS
CAS No. 72351-36-1
Article Data11
CAS DataBase
Density 1.137 g/cm³
Solubility
Melting Point 113-115 °C
Formula C₁₇H₁₉NO
Boiling Point 334.5 °C at 760 mmHg
Molecular Weight 253.344
Flash Point 139.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [1-(Diphenylmethyl)azetidin-3-yl]methanol;1-(Diphenylmethyl)-3-(hydroxymethyl)azetidine;
PSA 23.47000
LogP 2.63800

(1-Benzhydrylazetidin-3-yl)methanol Specification

The IUPAC name of this product is (1-Benzhydrylazetidin-3-yl)methanol, and its CAS registry number is 72351-36-1. It is also named as 1-(Diphenylmethyl)-3-(hydroxymethyl)azetidine. The molecular formula of this chemical is C₁₇H₁₉NO and its molecular weight is 253.34.

Physical properties about (1-Benzhydrylazetidin-3-yl)methanol are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.56; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.38; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 34.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 77.19 cm³; (15)Molar Volume: 222.7 cm³; (16)Polarizability: 30.6×10^-24 cm³; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.137 g/cm³; (19)Flash Point: 139.5 °C; (20)Enthalpy of Vaporization: 60.95 kJ/mol; (21)Boiling Point: 334.5 °C at 760 mmHg; (22)Vapour Pressure: 5.03E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC3CN(C(c1ccccc1)c2ccccc2)C3
(2) InChI: InChI=1/C17H19NO/c19-13-14-11-18(12-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17,19H,11-13H2
(3) InChIKey: GEFUGGQLCNKIQP-UHFFFAOYAN

Product Name

1-(DIPHENYLMETHYL)-3-(HYDROXYMETHYL)AZETIDINE

(1-Benzhydrylazetidin-3-yl)methanol Specification

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