cis-Hexahydroisoindole Hydrochloride - CAS 161829-92-1
Catalog: |
BB064247 |
Product Name: |
cis-Hexahydroisoindole Hydrochloride |
CAS: |
161829-92-1 |
Synonyms: |
cis-Octahydro-1H-isoindole hydrochloride; cis-Octahydroisoindole hydrochloride; Cis-Hexahydroisoindoline Hydrogen Chloride; Cis-hexahydroisoindole, HCl; (3aR,7aS)-octahydro-1H-isoindole hydrochloride; 1H-Isoindole, octahydro-, hydrochloride, (3aR,7aS)-rel-; (3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole; hydrochloride |
IUPAC Name: | (3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindolehydrochloride |
Description: | cis-Hexahydroisoindole Hydrochloride |
Molecular Weight: | 161.67 |
Molecular Formula: | C8H16ClN |
Canonical SMILES: | C1CCC2CNCC2C1.Cl |
InChI: | InChI=1S/C8H15N.ClH/c1-2-4-8-6-9-5-7(8)3-1/h7-9H,1-6H21H/t7-,8+ |
InChI Key: | CLQIZUYXKFTUEB-KVZVIFLMSA-N |
Complexity: | 88.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.0971272 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.0971272 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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