2-Cyclohexylhexahydro-1H-azepine Hydrochloride - CAS 1315367-47-5
Catalog: |
BB055691 |
Product Name: |
2-Cyclohexylhexahydro-1H-azepine Hydrochloride |
CAS: |
1315367-47-5 |
Synonyms: |
2-cyclohexylazepane hydrochloride; 2-Cyclohexylhexahydro-1H-azepine Hydrochloride; 2-cyclohexylazepane; hydrochloride; 2-cyclohexylazepanehydrochloride |
IUPAC Name: | 2-cyclohexylazepanehydrochloride |
Description: | A 2-cycloalkyl substituted hexahydro azepine derivative. |
Molecular Weight: | 217.78 |
Molecular Formula: | C12H24ClN |
Canonical SMILES: | C1CCC(CC1)C2CCCCCN2.Cl |
InChI: | InChI=1S/C12H23N.ClH/c1-3-7-11(8-4-1)12-9-5-2-6-10-13-12/h11-13H,1-10H21H |
InChI Key: | UBXHYWYTZOHBNK-UHFFFAOYSA-N |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.1597275 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.1597275 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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