Methyl 1-(diphenylmethyl)azetidine-3-carboxylate supplier

Name
Methyl 1-(diphenylmethyl)azetidine-3-carboxylate
EINECS
CAS No. 53871-06-0
Article Data5
CAS DataBase
Density 1.163 g/cm³
Solubility
Melting Point 67-70 °C
Formula C₁₈H₁₉NO₂
Boiling Point 365.6 °C at 760 mmHg
Molecular Weight 281.354
Flash Point 122.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-BENZHYDRYL-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER;BUTTPARK 37\04-18;3-AZETIDINECARBOXYLIC ACID, 1-(DIPHENYLMETHYL)-, METHYL ESTER;METHYL 1-BENZHYDRYLAZETIDINE-3-CARBOXYLATE;N-BENZHYDRYLAZETIDINE-3-CARBOXYLIC ACID METHYL ESTER;
PSA 29.54000
LogP 2.81870

Methyl 1-(diphenylmethyl)azetidine-3-carboxylate Specification

The Methyl 1-(diphenylmethyl)azetidine-3-carboxylate is an organic compound with the formula C₁₈H₁₉NO₂. The IUPAC name of this chemical is methyl 1-benzhydrylazetidine-3-carboxylate. With the CAS registry number 53871-06-0, it is also named as 3-Azetidinecarboxylic acid, 1-(diphenylmethyl)-, methyl ester.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 2.42; (6)ACD/BCF (pH 7.4): 72.35; (7)ACD/KOC (pH 5.5): 21.74; (8)ACD/KOC (pH 7.4): 650.14; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5 ; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 81.91 cm³; (14)Molar Volume: 241.7 cm³; (15)Polarizability: 32.47×10^-24 cm³; (16)Surface Tension: 47.9 dyne/cm; (17)Enthalpy of Vaporization: 61.2 kJ/mol; (18)Vapour Pressure: 1.55E-05 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 281.141579; (21)MonoIsotopic Mass: 281.141579; (22)Topological Polar Surface Area: 29.5; (23)Heavy Atom Count: 21; (24)Complexity: 321.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC)C3CN(C(c1ccccc1)c2ccccc2)C3
2. InChI:InChI=1/C18H19NO2/c1-21-18(20)16-12-19(13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3

Product Name

Methyl 1-(diphenylmethyl)azetidine-3-carboxylate

Methyl 1-(diphenylmethyl)azetidine-3-carboxylate Specification

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