3-Phenyl-octahydro-1H-indole - CAS 154777-44-3
Catalog: |
BB058226 |
Product Name: |
3-Phenyl-octahydro-1H-indole |
CAS: |
154777-44-3 |
Synonyms: |
Octahydro-3-phenyl-1H-indole |
IUPAC Name: | 3-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole |
Description: | 3-Phenyl-octahydro-1H-indole is a useful research reagent for organic synthesis processes. |
Molecular Weight: | 201.3 |
Molecular Formula: | C14H19N |
Canonical SMILES: | C1CCC2C(C1)C(CN2)C3=CC=CC=C3 |
InChI: | InChI=1S/C14H19N/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h1-3,6-7,12-15H,4-5,8-10H2 |
InChI Key: | UWANJFHETVWHSC-UHFFFAOYSA-N |
References: | Bowman, W. R., et al. Tetrahedron, 50, 1275 (1994). |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.15174961 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.15174961 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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