Hexahydro-2-ethyl-1H-azepine Hydrochloride - CAS 1346599-38-9
Catalog: |
BB064261 |
Product Name: |
Hexahydro-2-ethyl-1H-azepine Hydrochloride |
CAS: |
1346599-38-9 |
Synonyms: |
2-Ethylazepane hydrochloride; 2-ethylazepane; hydrochloride |
IUPAC Name: | 2-ethylazepanehydrochloride |
Description: | A 2-substituted hexahydro azepine. |
Molecular Weight: | 163.69 |
Molecular Formula: | C8H18ClN |
Canonical SMILES: | CCC1CCCCCN1.Cl |
InChI: | InChI=1S/C8H17N.ClH/c1-2-8-6-4-3-5-7-9-8/h8-9H,2-7H2,1H31H |
InChI Key: | ROWOZHUNJYTAQT-UHFFFAOYSA-N |
Complexity: | 71 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.1127773 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.1127773 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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