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115816-34-7

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Basic Information
CAS No.: 115816-34-7
Name: [1-(3-chlorophenyl)cyclobutyl]methanamine
Article Data: 1
Molecular Structure:
Molecular Structure of 115816-34-7 ([1-(3-chlorophenyl)cyclobutyl]methanamine)
Formula: C11H14ClN
Molecular Weight: 195.692
Synonyms: cyclobutanemethanamine, 1-(3-chlorophenyl)-;
Density: 1.149 g/cm3
Boiling Point: 296.1 °C at 760 mmHg
Flash Point: 161.1 °C
PSA: 26.02000
LogP: 3.42070
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Specification

The 1-(3-Chlorophenyl)cyclobutanemethanamine, with cas registry number 115816-34-7, has the systematic name of 1-[1-(3-chlorophenyl)cyclobutyl]methanamine. Besides this, it is also called cyclobutanemethanamine, 1-(3-chlorophenyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.04; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 55.92 cm3; (14)Molar Volume: 170.2 cm3; (15)Polarizability: 22.16×10-24cm3; (16)Surface Tension: 47.5 dyne/cm; (17)Enthalpy of Vaporization: 53.59 kJ/mol; (18)Vapour Pressure: 0.00146 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: NCC1(CCC1)c2cc(Cl)ccc2
(2)InChI: InChI=1/C11H14ClN/c12-10-4-1-3-9(7-10)11(8-13)5-2-6-11/h1,3-4,7H,2,5-6,8,13H2
(3)InChIKey: BPNBKCHIRNFOFV-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H14ClN/c12-10-4-1-3-9(7-10)11(8-13)5-2-6-11/h1,3-4,7H,2,5-6,8,13H2
(5)Std. InChIKey: BPNBKCHIRNFOFV-UHFFFAOYSA-N