Methyl 1-benzylazetidine-2-carboxylate supplier

Name
Methyl 1-benzylazetidine-2-carboxylate
EINECS
CAS No. 18085-37-5
Article Data6
CAS DataBase
Density 1.153 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₂
Boiling Point 272.8 °C at 760 mmHg
Molecular Weight 205.257
Flash Point 100.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Azetidinecarboxylicacid, 1-benzyl-, methyl ester (8CI);1-Benzyl-2-(methoxycarbonyl)azetidine;1-(Phenylmethyl)-2-azetidinecarboxylic acid methyl ester;
PSA 29.54000
LogP 1.37180

Methyl 1-benzylazetidine-2-carboxylate Specification

The cas register number of Methyl 1-benzylazetidine-2-carboxylate is 18085-37-5. It also can be called as 1-(Phenylmethyl)-2-azetidinecarboxylic acid methyl ester and the Systematic name about this chemical is methyl 1-benzylazetidine-2-carboxylate. It belongs to the following product categories, such as Amines and Anilines, Amino Acids and Derivatives and so on.

Physical properties about Methyl 1-benzylazetidine-2-carboxylate are: (1)ACD/LogP: 1.46; (2)ACD/LogD (pH 5.5): -0.54; (3)ACD/LogD (pH 7.4): 1.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.2; (6)ACD/KOC (pH 5.5): 1.47; (7)ACD/KOC (pH 7.4): 62.69; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54Å²; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 57.51 cm³; (13)Molar Volume: 177.9 cm³; (14)Polarizability: 22.8x10^-24cm³; (15)Surface Tension: 46.3 dyne/cm; (16)Enthalpy of Vaporization: 51.11 kJ/mol; (17)Vapour Pressure: 0.00596 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C2N(Cc1ccccc1)CC2
(2)InChI: InChI=1/C12H15NO2/c1-15-12(14)11-7-8-13(11)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
(3)InChIKey: CTFFWKWHYDAMKP-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C12H15NO2/c1-15-12(14)11-7-8-13(11)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
(5)Std. InChIKey: CTFFWKWHYDAMKP-UHFFFAOYSA-N

Product Name

Methyl 1-benzylazetidine-2-carboxylate

Methyl 1-benzylazetidine-2-carboxylate Specification

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