Product Name

(5α,8α,9α)-5,8,9,10-Tetrahydro-5,9-methanobenzocycloocten-8-ylammonium chloride Specification

The (5α, 8α, 9α)-5, 8, 9, 10-Tetrahydro-5, 9-methanobenzocycloocten-8-ylammonium chloride, with the CAS registry number 67384-25-2, is also known as (5alpha, 8alpha, 9alpha)-5, 8, 9, 10-Tetrahydro-5, 9-methanobenzocycloocten-8-ylammonium chloride. Its EINECS registry number is 266-675-0. This chemical's molecular formula is C13H16ClN and molecular weight is 221.72584. What's more, its systematic name is (5R, 8R, 9R)-5, 8, 9, 10-Tetrahydro-5, 9-methanobenzo[8]annulen-8-aminium chloride.

Physical properties about (5α, 8α, 9α)-5, 8, 9, 10-Tetrahydro-5, 9-methanobenzocycloocten-8-ylammonium chloride are: (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 0; (4)Exact Mass: 221.097127; (5)MonoIsotopic Mass: 221.097127; (6)Topological Polar Surface Area: 27.6; (7)Heavy Atom Count: 15; (8)Formal Charge: 0; (9)Complexity: 246; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 3; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].[NH3+][C@H]3/C=C\[C@H]1C[C@@H]3Cc2ccccc12
(2) InChI: InChI=1/C13H15N.ClH/c14-13-6-5-10-8-11(13)7-9-3-1-2-4-12(9)10;/h1-6,10-11,13H,7-8,14H2;1H/t10-,11-,13-;/m0./s1
(3) InChIKey: FTKXWCQSVJPWPZ-SQRKDXEHBC

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