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| CAS No.: | 73604-31-6 |
|---|---|
| Name: | 2-PHENOXY-N-METHYLETHYLAMINE HYDROCHLORIDE |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C7H9NO |
| Molecular Weight: | 123.155 |
| Synonyms: | 3-Hydroxybenzylamine; |
| Density: | 1.141 g/cm3 |
| Melting Point: | 174-176 °C |
| Boiling Point: | 264.7 °C at 760 mmHg |
| Flash Point: | 113.9 °C |
| Solubility: | Soluble in water and ethanol. |
| Hazard Symbols: |
 Xi
|
| PSA: | 46.25000 |
| LogP: | 1.55120 |
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- Total:38 Page 1 of 1 1
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Specification
The Phenol,3-(aminomethyl)-, with the CAS registry number 73604-31-6, is also known as 3-Hydroxybenzylamine. It belongs to the product category of Anilines, Aromatic Amines and Nitro Compounds. This chemical's molecular formula is C7H9NO and molecular weight is 123.15. What's more, both its IUPAC name and systematic name are the same which is called 3-(Aminomethyl)phenol. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Phenol,3-(aminomethyl)- are: (1)ACD/LogP: 0.35; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.593; (8)Molar Refractivity: 36.58 cm3; (9)Molar Volume: 107.8 cm3; (10)Surface Tension: 50.9 dyne/cm; (11)Density: 1.141 g/cm3; (12)Flash Point: 113.9 °C; (13)Enthalpy of Vaporization: 52.28 kJ/mol; (14)Boiling Point: 264.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00585 mmHg at 25 °C; (16)Melting Point: 174-176 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cc(ccc1)CN
(2) InChI: InChI=1/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5,8H2
(3) InChIKey: JNZYADHPGVZMQK-UHFFFAOYAP