3-(3-Aminopropoxy)benzonitrile - CAS 785760-03-4
Catalog: |
BB036190 |
Product Name: |
3-(3-Aminopropoxy)benzonitrile |
CAS: |
785760-03-4 |
Synonyms: |
3-(3-aminopropoxy)benzonitrile; 3-(3-aminopropoxy)benzonitrile |
IUPAC Name: | 3-(3-aminopropoxy)benzonitrile |
Description: | 3-(3-Aminopropoxy)benzonitrile (CAS# 785760-03-4) is a useful research chemical. |
Molecular Weight: | 176.22 |
Molecular Formula: | C10H12N2O |
Canonical SMILES: | C1=CC(=CC(=C1)OCCCN)C#N |
InChI: | InChI=1S/C10H12N2O/c11-5-2-6-13-10-4-1-3-9(7-10)8-12/h1,3-4,7H,2,5-6,11H2 |
InChI Key: | ICIHMVWGUZWIDU-UHFFFAOYSA-N |
Boiling Point: | 322.5 ℃ at 760 mmHg |
Density: | 1.1 g/cm3 |
LogP: | 1.98618 |
Publication Number | Title | Priority Date |
WO-2015155306-A1 | New trpa1 antagonists | 20140411 |
EP-1481966-B1 | Novel arylamidine derivative or salt thereof | 20020306 |
CA-2409729-A1 | 5-ht7 receptor antagonists | 20000509 |
EP-1280781-A1 | 5-ht 7 receptor antagonists | 20000509 |
EP-1280781-B1 | 5-ht 7 receptor antagonists | 20000509 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.094963011 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Amines and Anilines
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