10-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide - CAS 791633-38-0
Catalog: |
BB036306 |
Product Name: |
10-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide |
CAS: |
791633-38-0 |
Synonyms: |
5-chloro-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide; 5-chloro-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide |
IUPAC Name: | 5-chloro-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide |
Description: | 10-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide (CAS# 791633-38-0 ) is a useful research chemical. |
Molecular Weight: | 272.73 |
Molecular Formula: | C15H13ClN2O |
Canonical SMILES: | C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)Cl |
InChI: | InChI=1S/C15H13ClN2O/c16-12-9-10-5-1-3-7-13(10)18(15(17)19)14-8-4-2-6-11(12)14/h1-8,12H,9H2,(H2,17,19) |
InChI Key: | SILOKTCUWIPXDK-UHFFFAOYSA-N |
LogP: | 4.50470 |
Publication Number | Title | Priority Date |
EP-1477480-A1 | Method for racemisation of (S)-(+)- and (R)-(-)-10,11-dihydro-10-hydroxy-5H-dibenz[b,f]azepine-5-carboxamide and optically enriched mixtures thereof | 20030512 |
EP-1477480-B1 | Method for racemisation of (S)-(+)- and (R)-(-)-10,11-dihydro-10-hydroxy-5H-dibenz¬b,f|azepine-5-carboxamide and optically enriched mixtures thereof | 20030512 |
RU-2005138516-A | RACEMIZATION METHOD (S) - (+) AND (R) - (-) - 10, 11-DIHYDRO-10-HYDROXY-5H-DIBENZ (B, F) AZEPIN-5-CARBOXAMIDE AND THEIR OPTICALLY ENRICHED MIXTURES | 20030512 |
RU-2345986-C2 | METHOD OF RACEMATION OF (S)-(+) AND (R)-(-)-10,11-DIHYDRO-10-HYDROXY-5H-DEBENZ(b,f)AZEPIN-5-CARBOXAMIDE AND THEIR OPTICALLY ENRICHED MIXTURES | 20030512 |
US-2004266754-A1 | Method for racemisation of (S)-(+)- and (R)-(-)-10,11-dihydro-10-hydroxy-5H-dibenz/B,F/azepine-5-carboxamide and optically enriched mixtures thereof | 20030512 |
Complexity: | 349 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.0716407 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.0716407 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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