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17293-44-6

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Basic Information
CAS No.: 17293-44-6
Name: 2-Phenylcyclobutanamine
Molecular Structure:
Molecular Structure of 17293-44-6 (2-Phenylcyclobutanamine)
Formula: C10H13N
Molecular Weight: 147.22
Synonyms: trans-2-Phenyl-cyclobutylamin;2-PHENYLCYCLOBUTANAMINE HCL;
Density: 1.031 g/cm3
Boiling Point: 239.1 °C at 760 mmHg
Flash Point: 102.8 °C
PSA: 26.02000
LogP: 3.39360
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Specification

The 2-Phenylcyclobutanamine has CAS registry number 17293-44-6. This chemical's molecular formula is C10H13N and molecular weight is 147.0. What's more, its systematic name is 2-Phenylcyclobutanamine.

Physical properties about the 2-Phenylcyclobutanamine are: (1)ACD/LogP: 1.82; (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: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.02 Å2; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 46.44 cm3; (13)Molar Volume: 142.7 cm3; (14)Surface Tension: 42 dyne/cm; (15)Density: 1.031 g/cm3; (16)Flash Point: 102.8 °C; (17)Enthalpy of Vaporization: 47.59 kJ/mol; (18)Boiling Point: 239.1 °C at 760 mmHg; (19)Vapour Pressure: 0.041 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: NC2CCC2c1ccccc1
(2) InChI: InChI=1/C10H13N/c11-10-7-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7,11H2
(3) InChIKey: PKMQLQANCCIABY-UHFFFAOYAZ