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223381-60-0

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Basic Information
CAS No.: 223381-60-0
Name: 3-Azetidinamine, N-methyl-1-(phenylmethyl)-
Molecular Structure:
Molecular Structure of 223381-60-0 (3-Azetidinamine, N-methyl-1-(phenylmethyl)-)
Formula: C11H16N2
Molecular Weight: 176.2581
Synonyms: 1-Benzyl-N-methylazetidin-3-amine;
Density: 1.04 g/cm3
Boiling Point: 253 °C at 760 mmHg
Flash Point: 100.2 °C
PSA: 15.27000
LogP: 1.41900
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Specification

The 3-Azetidinamine, N-methyl-1-(phenylmethyl)-, with the CAS registry number 223381-60-0, is also known as 3-Methylamine-1-benzylazetidine. This chemical's molecular formula is C11H16N2 and molecular weight is 176.2581. What's more, its systematic name is 1-Benzyl-N-methylazetidin-3-amine.

Physical properties about 3-Azetidinamine, N-methyl-1-(phenylmethyl)- are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.15; (4)ACD/LogD (pH 7.4): -1.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 55.36 cm3; (15)Molar Volume: 168.4 cm3; (16)Polarizability: 21.95×10-24 cm3; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 100.2 °C; (20)Enthalpy of Vaporization: 49.03 kJ/mol; (21)Boiling Point: 253 °C at 760 mmHg; (22)Vapour Pressure: 0.0188 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)CN2CC(NC)C2
(2) InChI: InChI=1/C11H16N2/c1-12-11-8-13(9-11)7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
(3) InChIKey: YQKXKQBIHONSOW-UHFFFAOYAV