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| CAS No.: | 152623-94-4 |
|---|---|
| Name: | 2,3-Dihydro-methyl-5-benzofuranethanaminehydrochloride |
| Molecular Structure: | |
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| Formula: | C11H16ClNO |
| Molecular Weight: | 213.09 |
| Synonyms: | 2,3-Dihydro-methyl-5-benzofuranethanamine hydrochloride;5-Benzofuranethanamine,2,3-dihydro-a-methyl-,hydrochloride (9CI); |
| Boiling Point: | 325 °C at 760 mmHg |
| Flash Point: | 150.3 °C |
| PSA: | 35.25000 |
| LogP: | 3.01350 |
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Specification
The 5-Benzofuranethanamine,2,3-dihydro-a-methyl-,hydrochloride (1:1), with the CAS registry number 152623-94-4, is also known as 2,3-Dihydro-methyl-5-benzofuranethanamine hydrochloride. This chemical's molecular formula is C11H16ClNO and molecular weight is 213.09. What's more, its systematic name is called 1-(2,3-Dihydro-1-benzofuran-5-yl)-2-propanamine hydrochloride (1:1).
Physical properties about 5-Benzofuranethanamine,2,3-dihydro-a-methyl-,hydrochloride (1:1) are: (1)ACD/LogP: 1.727; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 35.25 Å2; (7)Flash Point: 150.3 °C; (8)Enthalpy of Vaporization: 57.83 kJ/mol; (9)Boiling Point: 325 °C at 760 mmHg; (10)Vapour Pressure: 0.000172 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.CC(N)Cc1cc2CCOc2cc1
(2) InChI: InChI=1S/C11H15NO.ClH/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11;/h2-3,7-8H,4-6,12H2,1H3;1H
(3) InChIKey: BZKLFXQUBIRXAK-UHFFFAOYSA-N