2-(3-Methyl-2-thienyl)azepane - CAS 527674-19-7
Catalog: |
BB053349 |
Product Name: |
2-(3-Methyl-2-thienyl)azepane |
CAS: |
527674-19-7 |
Synonyms: |
2-azaperhydroepin-2-yl-3-methylthiophene |
IUPAC Name: | 2-(3-methylthiophen-2-yl)azepane |
Molecular Weight: | 195.33 |
Molecular Formula: | C11H17NS |
Canonical SMILES: | CC1=C(SC=C1)C2CCCCCN2 |
InChI: | InChI=1S/C11H17NS/c1-9-6-8-13-11(9)10-5-3-2-4-7-12-10/h6,8,10,12H,2-5,7H2,1H3 |
InChI Key: | NDUGFZZLFOVAKS-UHFFFAOYSA-N |
Boiling Point: | 302.0±30.0 °C at 760 mmHg |
Density: | 1.0±0.1 g/cm3 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.10817072 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.10817072 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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