2,3,4,5-Tetrahydro-1H-3-benzazepin-6-ol - CAS 143620-35-3
Catalog: |
BB057159 |
Product Name: |
2,3,4,5-Tetrahydro-1H-3-benzazepin-6-ol |
CAS: |
143620-35-3 |
Synonyms: |
2,3,4,5-Tetrahydro-1H-benzazepine-6-ol; 2,3,4,5-Tetrahydro-1H-benzo[d]azepin-6-ol |
IUPAC Name: | 2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol |
Description: | 2,3,4,5-Tetrahydro-1H-3-benzazepin-6-ol can be used as reagent/reactant in preparation of substituted ureas as modulators of the CCR5 receptor. |
Molecular Weight: | 163.22 |
Molecular Formula: | C10H13NO |
Canonical SMILES: | C1CNCCC2=C1C=CC=C2O |
InChI: | InChI=1S/C10H13NO/c12-10-3-1-2-8-4-6-11-7-5-9(8)10/h1-3,11-12H,4-7H2 |
InChI Key: | XAYSUBWUWJHGFD-UHFFFAOYSA-N |
References: | Bondinell, W., et al. PCT Int. Appl., WO 2002034760 A2 20020502 (2002). |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.099714038 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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