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| CAS No.: | 1501-98-0 |
|---|---|
| Name: | 1-(1-ADAMANTYL)METHANAMINE HYDROCHLORIDE |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C11H20ClN |
| Molecular Weight: | 201.739 |
| Synonyms: | 1-Adamantanemethylamine,hydrochloride (7CI,8CI);Tricyclo[3.3.1.13,7]decane-1-methanamine, hydrochloride(9CI);1-Adamantanemethanamine hydrochloride;1-Adamantylmethylaminehydrochloride;[(1-Adamantyl)methyl]amine monohydrochloride; |
| Density: | 1.039 g/cm3 |
| Melting Point: | 337-340℃ |
| Boiling Point: | 280.9 °C at 760 mmHg |
| Flash Point: | 123.7 °C |
| PSA: | 26.02000 |
| LogP: | 3.66380 |
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- Total:29 Page 1 of 1 1
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Specification
The Tricyclo[3.3.1.13,7]decane-1-methanamine,hydrochloride (1:1), with the CAS registry number 1501-98-0, is also known as 1-Adamantylmethylaminehydrochloride. It belongs to the product category of Adamantane derivatives. This chemical's molecular formula is C11H20ClN and molecular weight is 201.74. What's more, its IUPAC name is 1-adamantylmethanamine hydrochloride.
Physical properties of Tricyclo[3.3.1.13,7]decane-1-methanamine,hydrochloride (1:1) are: (1)ACD/LogP: 2.75; (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): 2; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.02 Å2; (11)Flash Point: 123.7 °C; (12)Enthalpy of Vaporization: 53.01 kJ/mol; (13)Boiling Point: 280.9 °C at 760 mmHg; (14)Vapour Pressure: 0.00283 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C2CC3CC1CC(C2)(C3)CN.Cl
(2)InChI: InChI=1S/C11H19N.ClH/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11;/h8-10H,1-7,12H2;1H
(3)InChIKey: SCNHINHHYKFASL-UHFFFAOYSA-N