CAS No.80121-67-1,3-ETHYL-1-ADAMANTANAMINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80121-67-1
Name:	3-ETHYL-1-ADAMANTANAMINE HYDROCHLORIDE

Formula:	C₁₂H₂₁N^.HCl
Molecular Weight:	215.76
Synonyms:	3-Ethyltricyclo[3.3.1.13,7]decan-1-amine hydrochloride;Tricyclo[3.3.1.13,7]decan-1-amine, 3-ethyl-, hydrochloride (9CI);
Melting Point:	271.5-272.0℃
Boiling Point:	279.9 °C at 760 mmHg
Flash Point:	123.1 °C
PSA:	26.02000
LogP:	4.19640

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Specification

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