5-Chloro-2-methoxybenzenemethanamine supplier

Name
5-Chloro-2-methoxybenzenemethanamine
EINECS
CAS No. 896127-80-3
Article Data3
CAS DataBase
Density 1.181 g/cm³
Solubility
Melting Point
Formula C₈H₁₀ClNO
Boiling Point 252.785 °C at 760 mmHg
Molecular Weight 171.626
Flash Point 106.681 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms benzenemethanamine, 5-chloro-2-methoxy-;1-(5-chloro-2-methoxyphenyl)methanamine;5-Chloro-2-methoxybenzenemethanamine;
PSA 35.25000
LogP 2.50760

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

Product Name

5-Chloro-2-methoxybenzenemethanamine

5-Chloro-2-methoxybenzenemethanamine Specification

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