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CAS No.: | 50417-14-6 |
---|---|
Name: | ADAMANTANE-1-CARBOXAMIDINE HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C11H19ClN2 |
Molecular Weight: | 214.735 |
Synonyms: | Adamantane-1-carboxamidine HCl; |
Melting Point: | 225 °C |
Boiling Point: | 278.4 °C at 760 mmHg |
Flash Point: | 122.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22 |
PSA: | 49.87000 |
LogP: | 3.74080 |
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The Tricyclo[3.3.1.13,7]decane-1-carboximidamide,hydrochloride (1:1), with the CAS registry number 50417-14-6, is also known as Adamantane-1-carboxamidine HCl. It belongs to the product categorie of Pharmacetical. This chemical's molecular formula is C11H19ClN2 and molecular weight is 214.735. What's more, its IUPAC name is Adamantane-1-carboximidamide hydrochloride. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Tricyclo[3.3.1.13,7]decane-1-carboximidamide,hydrochloride (1:1) are: (1)ACD/LogP: 1.58; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.42; (4)ACD/LogD (pH 7.4): -0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.73; (8)ACD/KOC (pH 7.4): 1.73; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 15.6 Å2; (13)Flash Point: 122.1 °C; (14)Enthalpy of Vaporization: 51.7 kJ/mol; (15)Boiling Point: 278.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00428 mmHg at 25 °C; (17)Melting Point: 225 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.[N@H]=C(N)C13CC2CC(CC(C1)C2)C3
(2) InChI: InChI=1/C11H18N2.ClH/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;/h7-9H,1-6H2,(H3,12,13);1H
(3) InChIKey: OJNFQKIOKKMCIM-UHFFFAOYAE