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| CAS No.: | 5668-66-6 |
|---|---|
| Name: | 1-Acenaphthenamine hydrochloride |
| Molecular Structure: | |
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| Formula: | C12H11 N . Cl H |
| Molecular Weight: | 205.687 |
| Synonyms: | 1-Acenaphthenamine,hydrochloride (7CI,8CI);1-Acenaphthylenamine, 1,2-dihydro-, hydrochloride(9CI);NSC 31684; |
| Density: | 1.187g/cm3 |
| Melting Point: | 200 ºC |
| Boiling Point: | 335.5°Cat760mmHg |
| Flash Point: | 173.9°C |
| PSA: | 26.02000 |
| LogP: | 3.89800 |
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Specification
The 1-Acenaphthenamine hydrochloride with the cas registry number of 5668-66-6 is also known as 1-Acenaphthylenamine, 1,2-dihydro-, hydrochloride (1:1) and 1,2-Dihydroacenaphthylen-1-amine hydrochloride (1:1). The chemical's molecular formula is C12H11N.HCl. At the same time, its IUPAC name and systematic name are the same which is called 1,2-dihydroacenaphthylen-1-amine chloride.
Physical properties about this chemical are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.31; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.02 Å2; (12)Flash Point: 173.9 °C; (13)Enthalpy of Vaporization: 62.2 kJ/mol; (14)Boiling Point: 363.9 °C at 760 mmHg; (15)Vapour Pressure: 1.21E-05 mmHg at 25°C; (16)Melting Point: 200 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C2=CC=CC3=C2C1=CC=C3)N.[Cl-];
(2)InChI: InChI=1S/C12H11N.ClH/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9;/h1-6,11H,7,13H2;1H/p-1;
(3)InChIKey: UPIABGRPUYYFBX-UHFFFAOYSA-M.