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CAS No.: | 54745-74-3 |
---|---|
Name: | 8-OXA-3-AZABICYCLO[3.2.1]OCTANEHYDROCHLORIDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H12ClNO |
Molecular Weight: | 149.62 |
Synonyms: | 8-Oxa-3-azabicyclo[3.2.1]octane,hydrochloride (9CI); |
Melting Point: | 197-199 °C |
PSA: | 21.26000 |
LogP: | 1.26800 |
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This chemical is called 8-Oxa-3-azabicyclo[3.2.1]octane,hydrochloride (1:1), and its IUPAC name is 8-oxa-3-azabicyclo[3.2.1]octane hydrochloride. With the molecular formula of C6H12ClNO, its molecular weight is 149.060742. It belongs to the product categories of Heterocycles series; Fused Ring Systems. Additionally, ths CAS registry number of this chemical is 54745-74-3.
Other characteristics of the 8-Oxa-3-azabicyclo[3.2.1]octane,hydrochloride (1:1) can be summarised as followings: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 0; (4)Exact Mass: 149.060742; (5)MonoIsotopic Mass: 149.060742; (6)Topological Polar Surface Area:21.3; (7)Heavy Atom Count: 9; (8)Formal Charge: 0; (9)Complexity: 84.5; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 2; (13)Defined Bond StereoCenter Coun:t 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: C1CC2CNCC1O2.Cl
2.InChI: InChI=1/C6H11NO.ClH/c1-2-6-4-7-3-5(1)8-6;/h5-7H,1-4H2;1H
3.InChIKey: XADOTNAXKKFKDY-UHFFFAOYAG