1-Amino-3-ethyladamantane hydrochloride CAS NO.80121-67-1

The 1-Amino-3-ethyladamantane hydrochloride, with the CAS registry number 80121-67-1, is also known as 3-Ethyltricyclo[3.3.1.13,7]decan-1-amine hydrochloride. It belongs to the product category of Adamantane derivatives. This chemical's molecular formula is C₁₂H₂₁N^.HCl and molecular weight is 215.76. What's more, its systematic name is 3-Ethyl-1-adamantanamine hydrochloride (1:1).

Physical properties of 1-Amino-3-ethyladamantane hydrochloride are: (1)ACD/LogP: 3.229; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.09; (8)ACD/KOC (pH 7.4): 1.65; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.02 Å²; (13)Flash Point: 123.1 °C; (14)Enthalpy of Vaporization: 52.9 kJ/mol; (15)Boiling Point: 279.9 °C at 760 mmHg; (16)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CCC12CC3CC(N)(C1)CC(C2)C3
(2)Std. InChI: InChI=1S/C12H21N.ClH/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11;/h9-10H,2-8,13H2,1H3;1H
(3)Std. InChIKey: SLOLBBCVFZRLLS-UHFFFAOYSA-N

The 1-Amino-3-ethyladamantane hydrochloride, with the CAS registry number 80121-67-1, is also known as 3-Ethyltricyclo[3.3.1.13,7]decan-1-amine hydrochloride. It belongs to the product category of Adamantane derivatives. This chemical's molecular formula is C₁₂H₂₁N^.HCl and molecular weight is 215.76. What's more, its systematic name is 3-Ethyl-1-adamantanamine hydrochloride (1:1).

Physical properties of 1-Amino-3-ethyladamantane hydrochloride are: (1)ACD/LogP: 3.229; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.09; (8)ACD/KOC (pH 7.4): 1.65; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.02 Å²; (13)Flash Point: 123.1 °C; (14)Enthalpy of Vaporization: 52.9 kJ/mol; (15)Boiling Point: 279.9 °C at 760 mmHg; (16)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CCC12CC3CC(N)(C1)CC(C2)C3
(2)Std. InChI: InChI=1S/C12H21N.ClH/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11;/h9-10H,2-8,13H2,1H3;1H
(3)Std. InChIKey: SLOLBBCVFZRLLS-UHFFFAOYSA-N

Name		1-Amino-3-ethyladamantane hydrochloride
Synonyms		3-Ethyltricyclo[3.3.1.13,7]decan-1-amine hydrochloride
Molecular Structure
Molecular Formula		C12H21N.HCl
Molecular Weight		215.76
CAS Registry Number		80121-67-1
Properties
Melting point		271.5-272.0 ºC*
* Henkel, James G.; Journal of Medicinal Chemistry 1982, V25(1), P51-6.