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| CAS No.: | 896127-80-3 |
|---|---|
| Name: | 5-Chloro-2-methoxybenzenemethanamine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H10ClNO |
| Molecular Weight: | 171.626 |
| Synonyms: | benzenemethanamine, 5-chloro-2-methoxy-;1-(5-chloro-2-methoxyphenyl)methanamine;5-Chloro-2-methoxybenzenemethanamine; |
| Density: | 1.181 g/cm3 |
| Boiling Point: | 252.785 °C at 760 mmHg |
| Flash Point: | 106.681 °C |
| PSA: | 35.25000 |
| LogP: | 2.50760 |
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- Total:10 Page 1 of 1 1
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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