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Basic Information
CAS No.: 40745-44-6
Name: 1-Acenaphthenamine
Article Data: 5
Molecular Structure:
Molecular Structure of 40745-44-6 (1-Acenaphthenamine)
Formula: C12H11N
Molecular Weight: 169.226
Synonyms: 1-Acenaphthenamine(7CI);Acenaphthen-1-ylamine;
Density: 1.187g/cm3
Melting Point: 81°C
Boiling Point: 335.5 °C at 760 mmHg
Flash Point: 173.9 °C
PSA: 26.02000
LogP: 3.09600
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Specification

The 1-Acenaphthenamine, with CAS registry number 40745-44-6, has the systematic name of 1,2-dihydroacenaphthylen-1-amine. Besides this, it is also called Acenaphthen-1-amine. Its molecular weight is 169.22. And the chemical formula of this chemical is C12H11N.

Physical properties of 1-Acenaphthenamine: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.702; (8)Molar Refractivity: 55.21 cm3; (9)Molar Volume: 142.4 cm3; (10)Polarizability: 21.88×10-24cm3; (11)Surface Tension: 54.5 dyne/cm; (12)Density: 1.187 g/cm3; (13)Flash Point: 173.9 °C; (14)Enthalpy of Vaporization: 57.86 kJ/mol; (15)Boiling Point: 335.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000119 mmHg at 25°C.

Uses of 1-Acenaphthenamine: it can be used to produce 1,2,2a,3,4,5-hexahydro-acenaphthylene. This reaction will need reagent hydrogen. The reaction time is 2 hour(s) with reaction temperature of 180 ℃. The yield is about 79%.

You can still convert the following datas into molecular structure:
(1)SMILES: c2cc1cccc3c1c(c2)C(N)C3
(2)InChI: InChI=1/C12H11N/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11H,7,13H2
(3)InChIKey: LCYNDXQWJAMEAI-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C12H11N/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11H,7,13H2
(5)Std. InChIKey: LCYNDXQWJAMEAI-UHFFFAOYSA-N