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133005-41-1

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Basic Information
CAS No.: 133005-41-1
Name: SKF-10047
Molecular Structure:
Molecular Structure of 133005-41-1 (SKF-10047)
Formula: C17H24ClNO
Molecular Weight: 293.83
Synonyms: (-)-N-Allylnormetazocine hydrochloride;
Melting Point: 201-203 °C
Solubility: H2O: soluble
Appearance: white solid
PSA: 23.47000
LogP: 3.84230
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Specification

The SKF-10047, with the CAS registry number 156589-82-1, is also known as (-)-N-Allylnormetazocine hydrochloride. This chemical's molecular formula is C17H24ClNO and molecular weight is 293.83. It is white solid.

Physical properties about SKF-10047: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 2; (4)Tautomer Count: 3; (5)Exact Mass: 293.154642; (6)MonoIsotopic Mass: 293.154642; (7)Topological Polar Surface Area: 23.5; (8)Heavy Atom Count: 20; (9)Formal Charge: 0; (10)Complexity 355 ; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 3; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1[C@@H]2Cc3ccc(cc3[C@]1(CCN2CC=C)C)O.Cl
(2) InChI: InChI=1/C17H23NO.ClH/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17;/h4-6,11-12,16,19H,1,7-10H2,2-3H3;1H/t12?,16-,17-;/m0./s1
(3) InChIKey: ZTGMHFIGNYXMJV-XLIAGRDUBQ