4,5-Dihydro-1H-benzo[d]azepin-2(3H)-one - CAS 15987-50-5
Catalog: |
BB011579 |
Product Name: |
4,5-Dihydro-1H-benzo[d]azepin-2(3H)-one |
CAS: |
15987-50-5 |
Synonyms: |
1,2,3,5-tetrahydro-3-benzazepin-4-one; 1,2,3,5-tetrahydro-3-benzazepin-4-one |
IUPAC Name: | 1,2,3,5-tetrahydro-3-benzazepin-4-one |
Description: | 4,5-Dihydro-1H-benzo[d]azepin-2(3H)-one (CAS# 15987-50-5) is used as a reagent in the synthesis of alkylated benzo[d]azepin-2-ones which can be used as potentially selective 5-HT2C agonists. |
Molecular Weight: | 161.20 |
Molecular Formula: | C10H11NO |
Canonical SMILES: | C1CNC(=O)CC2=CC=CC=C21 |
InChI: | InChI=1S/C10H11NO/c12-10-7-9-4-2-1-3-8(9)5-6-11-10/h1-4H,5-7H2,(H,11,12) |
InChI Key: | GYIYVTGAOWHWRI-UHFFFAOYSA-N |
Boiling Point: | 377.3 ℃ at 760 mmHg |
Density: | 1.1 g/cm3 |
LogP: | 1.23020 |
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Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.084063974 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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