2-(3,4-Dimethoxyphenyl)azepane hydrochloride - CAS 34258-22-5
Catalog: |
BB067531 |
Product Name: |
2-(3,4-Dimethoxyphenyl)azepane hydrochloride |
CAS: |
34258-22-5 |
Synonyms: |
2-(3,4-DIMETHOXYPHENYL)AZEPANE HYDROCHLORIDE; 2-(3,4-dimethoxyphenyl)azepane; hydrochloride; 2-(3,4-Dimethoxyphenyl)azepane, HCl; 2-(3,4-Dimethoxyphenyl)azepane (HCl) |
IUPAC Name: | 2-(3,4-dimethoxyphenyl)azepanehydrochloride |
Description: | 2-(3,4-Dimethoxyphenyl)azepane, HCl |
Molecular Weight: | 271.78 |
Molecular Formula: | C14H21NO2·HCl |
Canonical SMILES: | COC1=C(C=C(C=C1)C2CCCCCN2)OC.Cl |
InChI: | InChI=1S/C14H21NO2.ClH/c1-16-13-8-7-11(10-14(13)17-2)12-6-4-3-5-9-15-12/h7-8,10,12,15H,3-6,9H2,1-2H31H |
InChI Key: | VVJFFRFPDXICSF-UHFFFAOYSA-N |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.1339066 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.1339066 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 30.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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