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| CAS No.: | 15210-60-3 |
|---|---|
| Name: | Tricyclo[3.3.1.13,7]decan-1-amine, 3,5,7-trimethyl-, hydrochloride |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C13H23N.HCl |
| Molecular Weight: | 229.79 |
| Synonyms: | 3,5,7-Trimethyl-1-adamantanamine hydrochloride (1:1); |
| EINECS: | 810-530-1 |
| Boiling Point: | 272.5 °C at 760 mmHg |
| Flash Point: | 118.6 °C |
| PSA: | 26.02000 |
| LogP: | 4.58650 |
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Specification
The 3,5,7-Trimethyladamantan-1-amine hydrochloride, with the CAS registry number 15210-60-3, is also known as Tricyclo[3.3.1.13,7]decan-1-amine, 3,5,7-trimethyl-, hydrochloride. This chemical's molecular formula is C13H23N.HCl and molecular weight is 229.79. What's more, its systematic name is 3,5,7-Trimethyl-1-adamantanamine hydrochloride (1:1).
Physical properties of 3,5,7-Trimethyladamantan-1-amine hydrochloride are: (1)ACD/LogP: 3.656; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.56; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.85; (8)ACD/KOC (pH 7.4): 2.74; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Flash Point: 118.6 °C; (14)Enthalpy of Vaporization: 52.11 kJ/mol; (15)Boiling Point: 272.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00469 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CC13CC2(C)CC(C)(CC(N)(C1)C2)C3
(2)Std. InChI: InChI=1S/C13H23N.ClH/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11;/h4-9,14H2,1-3H3;1H
(3)Std. InChIKey: HOZQWSJTVWTWDT-UHFFFAOYSA-N