-
Name
[(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid - 1-(cyclohexylmethyl)piperidine (1:1)
- EINECS
- CAS No. 63916-54-1
- Density
- Solubility
- Melting Point
- Formula C12H23N•C10H16O4S
- Boiling Point
- Molecular Weight 413.68
- Flash Point
- Transport Information
- Appearance
- Safety Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of SOx and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Piperidinomethylcyclohexane camphosulfate Chemical Properties
IUPAC Name: 1-(cyclohexylmethyl)piperidine;[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid
Empirical Formula: C22H39NO4S
Molecular Weight: 413.6144g/mol
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 413.259979
MonoIsotopic Mass: 413.259979
Topological Polar Surface Area: 74.7
Heavy Atom Count: 28
Formal Charge: 0
Complexity: 536
Canonical SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.C1CCC(CC1)CN2CCCCC2
Isomeric SMILES: CC1(C2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C.C1CCC(CC1)CN2CCCCC2
InChI: InChI=1S/C12H23N.C10H16O4S/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h12H,1-11H2;7H,3-6H2,1-2H3,(H,12,13,14)/t;7?,10-/m.1/s1
InChIKey: NYYVCTVAXPPMSJ-FHIDHQGESA-N
Structure of Piperidinomethylcyclohexane camphosulfate (CAS NO.63916-54-1):
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Piperidinomethylcyclohexane camphosulfate Toxicity Data With Reference
| 1. | orl-mus LD50:370 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 167 (1967),273. | ||
| 2. | ipr-mus LD50:370 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 167 (1967),273. | ||
| 3. | ivn-mus LD50:41 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 167 (1967),273. |
Piperidinomethylcyclohexane camphosulfate Safety Profile
Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of SOx and NOx.
Piperidinomethylcyclohexane camphosulfate Specification
Piperidinomethylcyclohexane camphosulfate , its cas register number is 63916-54-1. It also can be called Piperidinomethylcyclohexane camphosulfate ; CID3048629 ; SD 210-37 ; LS-43639 ; Cyclohexane, piperidinomethyl-, camphosulfate salt ; Piperidino-methyl-cyclohexane (camphosulfonate) ; Piperidino-methyl-cyclohexane (camphosulfonate) [French] ; Bicyclo(2.2.1)heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-, compd. with1-(cyclohexylmethyl)piperidine (1:1) . When Piperidinomethylcyclohexane camphosulfate (CAS NO.63916-54-1) is heated to decomposition, it emits very toxic fumes of SOx and NOx.
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