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| CAS No.: | 99709-24-7 |
|---|---|
| Name: | Tropenol hydrochloride |
| Molecular Structure: | |
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| Formula: | C8H13NO.HCl |
| Molecular Weight: | 175.658 |
| Synonyms: | 8-Azabicyclo[3.2.1]oct-6-en-3-ol,8-methyl-, hydrochloride (6CI); |
| Boiling Point: | 241.4 °C at 760 mmHg |
| Flash Point: | 122.8 °C |
| PSA: | 23.47000 |
| LogP: | 1.11980 |
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- Total:38 Page 1 of 1 1
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Specification
The Tropenol hydrochloride, with CAS registry number 99709-24-7, has the systematic name of 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-ol hydrochloride (1:1). Besides this, it is also called 8-azabicyclo[3.2.1]oct-6-en-3-ol, 8-methyl-, hydrochloride (1:1). And the chemical formula of this chemical is C8H13NO.HCl.
Physical properties of Tropenol hydrochloride: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.47 Å2; (13)Enthalpy of Vaporization: 55.58 kJ/mol; (14)Vapour Pressure: 0.00622 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.OC2CC1\C=C/C(N1C)C2
(2)InChI: InChI=1/C8H13NO.ClH/c1-9-6-2-3-7(9)5-8(10)4-6;/h2-3,6-8,10H,4-5H2,1H3;1H
(3)InChIKey: KQXIXVUWSVWODX-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H13NO.ClH/c1-9-6-2-3-7(9)5-8(10)4-6;/h2-3,6-8,10H,4-5H2,1H3;1H
(5)Std. InChIKey: KQXIXVUWSVWODX-UHFFFAOYSA-N