2-(1-Azepanyl)-2-phenylethylamine - CAS 876710-61-1
Catalog: |
BB038578 |
Product Name: |
2-(1-Azepanyl)-2-phenylethylamine |
CAS: |
876710-61-1 |
Synonyms: |
2-(1-azepanyl)-2-phenylethanamine; 2-(azepan-1-yl)-2-phenylethanamine |
IUPAC Name: | 2-(azepan-1-yl)-2-phenylethanamine |
Description: | 2-(1-Azepanyl)-2-phenylethylamine (CAS# 876710-61-1 ) is a useful research chemical. |
Molecular Weight: | 218.34 |
Molecular Formula: | C14H22N2 |
Canonical SMILES: | C1CCCN(CC1)C(CN)C2=CC=CC=C2 |
InChI: | InChI=1S/C14H22N2/c15-12-14(13-8-4-3-5-9-13)16-10-6-1-2-7-11-16/h3-5,8-9,14H,1-2,6-7,10-12,15H2 |
InChI Key: | NRZLUHQRMXSAGX-UHFFFAOYSA-N |
Boiling Point: | 322.6 °C at 760 mmHg |
Density: | 1.017 g/cm3 |
MDL: | MFCD07186361 |
LogP: | 3.20060 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2657601-A1 | Substituted indazoles | 20060714 |
EP-2044031-A1 | 2-(heteroaryl) alkyl indazole 6-phenyl and thienyl methyl amide as thrombin inhibitors | 20060714 |
JP-2009543818-A | Substituted indazoles | 20060714 |
US-2010105663-A1 | 2-(heteroaryl) alkyl indazole 6-phenyl and thienyl methyl amide as thrombin inhibitors | 20060714 |
WO-2008006479-A1 | 2-(heteroaryl) alkyl indazole 6-phenyl and thienyl methyl amide as thrombin inhibitors | 20060714 |
PMID | Publication Date | Title | Journal |
20637614 | 20100815 | Identification of N-(2-(azepan-1-yl)-2-phenylethyl)-benzenesulfonamides as novel inhibitors of GlyT1 | Bioorganic & medicinal chemistry letters |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.17829871 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.17829871 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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