N-Ethyl-4-chlorobenzylamine - CAS 69957-83-1
Catalog: |
BB034026 |
Product Name: |
N-Ethyl-4-chlorobenzylamine |
CAS: |
69957-83-1 |
Synonyms: |
N-[(4-chlorophenyl)methyl]ethanamine; N-[(4-chlorophenyl)methyl]ethanamine |
IUPAC Name: | N-[(4-chlorophenyl)methyl]ethanamine |
Description: | N-Ethyl-4-chlorobenzylamine (CAS# 69957-83-1) is used in preparation of heterocycles as angiotensin AT-2 receptor antagonists. |
Molecular Weight: | 169.65 |
Molecular Formula: | C9H12ClN |
Canonical SMILES: | CCNCC1=CC=C(C=C1)Cl |
InChI: | InChI=1S/C9H12ClN/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3 |
InChI Key: | DWQGKMSNZGJKJS-UHFFFAOYSA-N |
Boiling Point: | 226.7 °C at 760 mmHg |
Density: | 1.063 g/cm3 |
LogP: | 2.84040 |
Publication Number | Title | Priority Date |
CN-111499575-A | Method for preparing lorcaserin | 20200505 |
EP-3770148-A1 | Receptor inhibitor, pharmaceutical composition comprising same, and use thereof | 20180323 |
US-2021054007-A1 | Receptor inhibitor, pharmaceutical composition comprising same, and use thereof | 20180323 |
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US-2017298090-A1 | Modulators of ROR-gamma Receptors, Composition and Use Thereof | 20160408 |
PMID | Publication Date | Title | Journal |
20397706 | 20100513 | Investigation of the bioactive conformation of histamine H3 receptor antagonists by the cyclopropylic strain-based conformational restriction strategy | Journal of medicinal chemistry |
Complexity: | 97.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0658271 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0658271 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 12 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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