Hexahydro-2-isobutyl-1H-azepine Hydrochloride - CAS 1346604-91-8
Catalog: |
BB056184 |
Product Name: |
Hexahydro-2-isobutyl-1H-azepine Hydrochloride |
CAS: |
1346604-91-8 |
Synonyms: |
Hexahydro-2-(2-methylpropyl)-1H-azepine Hydrochloride |
IUPAC Name: | 2-(2-methylpropyl)azepanehydrochloride |
Description: | A 2-substituted hexahydro azepine. |
Molecular Weight: | 191.74 |
Molecular Formula: | C10H22ClN |
Canonical SMILES: | CC(C)CC1CCCCCN1.Cl |
InChI: | InChI=1S/C10H21N.ClH/c1-9(2)8-10-6-4-3-5-7-11-10/h9-11H,3-8H2,1-2H31H |
InChI Key: | FODROEQYRFKKLT-UHFFFAOYSA-N |
Complexity: | 99 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.1440774 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.1440774 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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