CAS No.46193-94-6,(1-BENZYLAZETIDIN-2-YL)METHANAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	46193-94-6
Name:	(1-BENZYLAZETIDIN-2-YL)METHANAMINE

Formula:	C₁₁H₁₆N₂
Molecular Weight:	176.26
Synonyms:	2-Aminomethyl-1-benzylazetidine;1-Benzyl-2-azetidinemethanamine;
Density:	1.068 g/cm³
Boiling Point:	264.816 °C at 760 mmHg
Flash Point:	103.903 °C
PSA:	29.26000
LogP:	1.85780

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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