1-Cbz-4-hydroxyazepane - CAS 648418-25-1
Catalog: |
BB032563 |
Product Name: |
1-Cbz-4-hydroxyazepane |
CAS: |
648418-25-1 |
Synonyms: |
4-hydroxy-1-azepanecarboxylic acid (phenylmethyl) ester; benzyl 4-hydroxyazepane-1-carboxylate |
IUPAC Name: | benzyl 4-hydroxyazepane-1-carboxylate |
Description: | 1-Cbz-4-hydroxyazepane (CAS# 648418-25-1) is a useful research chemical. |
Molecular Weight: | 249.31 |
Molecular Formula: | C14H19NO3 |
Canonical SMILES: | C1CC(CCN(C1)C(=O)OCC2=CC=CC=C2)O |
InChI: | InChI=1S/C14H19NO3/c16-13-7-4-9-15(10-8-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2 |
InChI Key: | GJXUQWPNVHGPQC-UHFFFAOYSA-N |
Boiling Point: | 399.2 °C at 760 mmHg |
Density: | 1.184 g/cm3 |
MDL: | MFCD07778596 |
LogP: | 2.10790 |
Publication Number | Title | Priority Date |
CA-2936241-A1 | Azepane derivatives and methods of treating hepatitis b infections | 20140116 |
EP-3094624-A1 | Azepane derivatives and methods of treating hepatitis b infections | 20140116 |
JP-2017504626-A | Azepan derivatives and methods for treating hepatitis B infection | 20140116 |
US-10392349-B2 | Azepane derivatives and methods of treating hepatitis B infections | 20140116 |
US-2015197493-A1 | Azepane derivatives and methods of treating hepatitis b infections | 20140116 |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.13649347 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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