2-(3-Aminopropoxy)benzonitrile - CAS 444574-75-8
Catalog: |
BB025616 |
Product Name: |
2-(3-Aminopropoxy)benzonitrile |
CAS: |
444574-75-8 |
Synonyms: |
2-(3-aminopropoxy)benzonitrile; 2-(3-aminopropoxy)benzonitrile |
IUPAC Name: | 2-(3-aminopropoxy)benzonitrile |
Description: | 2-(3-Aminopropoxy)benzonitrile (CAS# 444574-75-8) is a useful research chemical. |
Molecular Weight: | 176.22 |
Molecular Formula: | C10H12N2O |
Canonical SMILES: | C1=CC=C(C(=C1)C#N)OCCCN |
InChI: | InChI=1S/C10H12N2O/c11-6-3-7-13-10-5-2-1-4-9(10)8-12/h1-2,4-5H,3,6-7,11H2 |
InChI Key: | QQVAZWABKCUECQ-UHFFFAOYSA-N |
Boiling Point: | 344.525 ℃ at 760 mmHg |
Density: | 1.106 g/cm3 |
LogP: | 1.98618 |
Publication Number | Title | Priority Date |
US-2007173502-A1 | Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use | 20010126 |
US-7605261-B2 | Urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use | 20010126 |
EP-1280781-A1 | 5-ht 7 receptor antagonists | 20000509 |
EP-1280781-B1 | 5-ht 7 receptor antagonists | 20000509 |
US-2002032199-A1 | 5-HT7 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: | 1.4 |
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