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5-Chloro-2-methoxybenzenemethanamine

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Name

5-Chloro-2-methoxybenzenemethanamine

EINECS N/A
CAS No. 896127-80-3 Density 1.181 g/cm3
PSA 35.25000 LogP 2.50760
Solubility N/A Melting Point N/A
Formula C8H10ClNO Boiling Point 252.785 °C at 760 mmHg
Molecular Weight 171.626 Flash Point 106.681 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 896127-80-3 (5-Chloro-2-methoxybenzenemethanamine) Hazard Symbols N/A
Synonyms

benzenemethanamine, 5-chloro-2-methoxy-;1-(5-chloro-2-methoxyphenyl)methanamine;5-Chloro-2-methoxybenzenemethanamine;

Article Data 3

5-Chloro-2-methoxybenzenemethanamine Specification

The 5-Chloro-2-methoxybenzenemethanamine, with the cas registry number 896127-80-3, has the systematic name of 1-(5-chloro-2-methoxyphenyl)methanamine. And the molecular formula of the chemical is C8H10ClNO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3) ACD/LogD (pH 7.4): 0; (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): 5; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.25 Å2; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 46.278 cm3; (14)Molar Volume: 145.374 cm3; (15)Polarizability: 18.346×10-24cm3; (16)Surface Tension: 40.027 dyne/cm; (17)Density: 1.181 g/cm3; (18)Flash Point: 106.681 °C; (19)Enthalpy of Vaporization: 49.015 kJ/mol; (20)Boiling Point: 252.785 °C at 760 mmHg; (21)Vapour Pressure: 0.019 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1ccc(Cl)cc1CN
(2)InChI: InChI=1/C8H10ClNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,5,10H2,1H3
(3)InChIKey: GIGGUFCYUVFLJZ-UHFFFAOYAF

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