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| CAS No.: | 247569-42-2 |
|---|---|
| Name: | 4-Chloro-3-methoxybenzenemethanamine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H10ClNO |
| Molecular Weight: | 171.626 |
| Synonyms: | 4-Chloro-3-methoxybenzenemethanamine;4-Chloro-3-methoxybenzylamine; |
| Density: | 1.18 g/cm3 |
| Boiling Point: | 263.1 °C at 760 mmHg |
| Flash Point: | 112.9 °C |
| PSA: | 35.25000 |
| LogP: | 2.50760 |
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Specification
The 4-Chloro-3-methoxybenzenemethanamine, with the CAS registry number 247569-42-2, is also known as Benzenemethanamine, 4-chloro-3-methoxy-. This chemical's molecular formula is C8H10ClNO and molecular weight is 171.63. What's more, its systematic name is called 1-(4-Chloro-3-methoxyphenyl)methanamine.
Physical properties about 4-Chloro-3-methoxybenzenemethanamine are: (1) ACD/LogP: 1.55; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 3.55; (7) #H bond acceptors: 2; (8) #H bond donors: 2; (9) #Freely Rotating Bonds: 3; (10) Polar Surface Area: 35.25 Å2; (11) Index of Refraction: 1.549; (12) Molar Refractivity: 46.27 cm3; (13) Molar Volume: 145.3 cm3; (14) Surface Tension: 40 dyne/cm; (15) Density: 1.18 g/cm3; (16) Flash Point: 112.9 °C; (17) Enthalpy of Vaporization: 50.09 kJ/mol; (18) Boiling Point: 263.1 °C at 760 mmHg; (19) Vapour Pressure: 0.0105 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(ccc1Cl)CN
(2) InChI: InChI=1/C8H10ClNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,5,10H2,1H3
(3) InChIKey: PJXDPMLLVPKDEU-UHFFFAOYAX