2-(2-Methylphenyl)azepane - CAS 133745-39-8
Catalog: |
BB051598 |
Product Name: |
2-(2-Methylphenyl)azepane |
CAS: |
133745-39-8 |
Synonyms: |
2-(o-Tolyl)azepane; 2-(2-methylphenyl)azaperhydroepine |
IUPAC Name: | 2-(2-methylphenyl)azepane |
Molecular Weight: | 189.30 |
Molecular Formula: | C13H19N |
Canonical SMILES: | CC1=CC=CC=C1C2CCCCCN2 |
InChI: | InChI=1S/C13H19N/c1-11-7-4-5-8-12(11)13-9-3-2-6-10-14-13/h4-5,7-8,13-14H,2-3,6,9-10H2,1H3 |
InChI Key: | CIBNCGKWGANWBA-UHFFFAOYSA-N |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.15174961 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.15174961 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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