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1-Benzyl-2-azetidinemethanamine

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Name

1-Benzyl-2-azetidinemethanamine

EINECS N/A
CAS No. 46193-94-6 Density 1.068 g/cm3
PSA 29.26000 LogP 1.85780
Solubility N/A Melting Point N/A
Formula C11H16N2 Boiling Point 264.816 °C at 760 mmHg
Molecular Weight 176.26 Flash Point 103.903 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 46193-94-6 ((1-BENZYLAZETIDIN-2-YL)METHANAMINE) Hazard Symbols N/A
Synonyms

2-Aminomethyl-1-benzylazetidine;1-Benzyl-2-azetidinemethanamine;

 

1-Benzyl-2-azetidinemethanamine Specification

The IUPAC name of 1-Benzyl-2-azetidinemethanamine is (1-Benzylazetidin-2-yl)methanamine. With the CAS registry number 46193-94-6, it is also named as 2-Azetidinemethanamine,1-(phenylmethyl)-. In addition, its molecular formula is C11H16N2 and its molecular weight is 176.26. 

The other characteristics of 1-Benzyl-2-azetidinemethanamine can be summarized as: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)H bond acceptors: 2; (8)H bond donors: 2; (9)Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.26 Å2; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 54.797 cm3; (13)Molar Volume: 165.084 cm3; (14)Polarizability: 21.723×10-24cm3; (15)Surface Tension: 45.39 dyne/cm; (16)Density: 1.068 g/cm3; (17)Flash Point: 103.903 °C; (18)Enthalpy of Vaporization: 50.271 kJ/mol; (19)Boiling Point: 264.816 °C at 760 mmHg; (20)Vapour Pressure: 0.009 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1ccc(cc1)CN2CCC2CN
(2)InChI:InChI=1/C11H16N2/c12-8-11-6-7-13(11)9-10-4-2-1-3-5-10/h1-5,11H,6-9,12H2
(3)InChIKey:VEWIYLBNEGSCTO-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C11H16N2/c12-8-11-6-7-13(11)9-10-4-2-1-3-5-10/h1-5,11H,6-9,12H2
(5)Std. InChIKey:VEWIYLBNEGSCTO-UHFFFAOYSA-N

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