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CAS No.: | 30583-08-5 |
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Name: | Piperazine 2-oxobornane-10-sulphonate |
Molecular Structure: | |
Formula: | C14H26N2O4S |
Molecular Weight: | 318.4322 |
Synonyms: | (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid - piperazine (1:1);Solucamphre;Camphosulfonate de diethylenediamine;NIOSH/TM2480000;Camphosulfonate de diethylenediamine [French];TM2480000; |
EINECS: | 250-251-7 |
PSA: | 0.00000 |
LogP: | 0.00000 |
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The Piperazine 2-oxobornane-10-sulphonate, with CAS registry number of 30583-08-5, is also known as (7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid - piperazine (1:1). Its IUPAC name is (7,7-Dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate. Its molecular formula is C14H26N2O4S, and molecular weight is 318.4322.
Physical properties about this chemical are: (1) ACD/LogP: -0.58; (2) # of Rule of 5 Violations: 0; (3) # H bond acceptors: 4; (4) # H bond donors: 1; (5) # Freely Rotating Bonds: 2; (6) Polar Surface Area: 68.82 Å2; (7) H-Bond Donor: 2; (8) H-Bond Acceptor: 6; (9) Rotatable Bond Count: 1; (10) Tautomer Count: 2; (11) Exact Mass: 317.153503; (12) MonoIsotopic Mass: 317.153503; (13) Topological Polar Surface Area: 107; (14) Heavy Atom Count: 21; (15) Formal Charge: -1; (16) Complexity: 417; (17) Undefined Atom StereoCenter Count: 2; (18) Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)CC21C(=O)CC(CC1)C2(C)C.N1CCNCC1
(2) InChI: InChI=1/C10H16O4S.C4H10N2/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;1-2-6-4-3-5-1/h7H,3-6H2,1-2H3,(H,12,13,14);5-6H,1-4H2
(3) InChIKey: JSAZTUYNZHDFNH-UHFFFAOYAV