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| CAS No.: | 356572-08-2 |
|---|---|
| Name: | 1-Hydroxy-3-amino-5,7-dimethyladamantane hydrochloride |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C12H21NO.HCl |
| Molecular Weight: | 231.766 |
| Synonyms: | 1-amino-3,5-dimethyl-7-hydroxyadamantane Hydrochloride;7-Hydroxy Memantine Hydrochloride;1-HYDROXY-3-AMINO-5,7-DIMETHYLADAMANTANE HYDROCHLORIDE; |
| EINECS: | 1312995-182-4 |
| Melting Point: | 304-306°C |
| Boiling Point: | 305.2 °C at 760 mmHg |
| Flash Point: | 138.4 °C |
| PSA: | 46.25000 |
| LogP: | 3.31130 |
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- Total:23 Page 1 of 1 1
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Specification
The 1-Hydroxy-3-amino-5,7-dimethyladamantane hydrochloride, with CAS registry number 356572-08-2, has the systematic name of 3-amino-5,7-dimethyltricyclo[3.3.1.13,7]decan-1-ol hydrochloride (1:1). And the chemical formula of this chemical is C12H21NO.HCl.
Physical properties of 1-Hydroxy-3-amino-5,7-dimethyladamantane hydrochloride: (1)ACD/LogP: 1.42; (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): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 46.25 Å2; (11)Enthalpy of Vaporization: 63.28 kJ/mol; (12)Vapour Pressure: 7.87E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CC13CC2(N)CC(C)(CC(O)(C1)C2)C3
(2)InChI: InChI=1/C12H21NO.ClH/c1-9-3-10(2)5-11(13,4-9)8-12(14,6-9)7-10;/h14H,3-8,13H2,1-2H3;1H
(3)InChIKey: VSLXJPGBEIWMTR-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H21NO.ClH/c1-9-3-10(2)5-11(13,4-9)8-12(14,6-9)7-10;/h14H,3-8,13H2,1-2H3;1H
(5)Std. InChIKey: VSLXJPGBEIWMTR-UHFFFAOYSA-N