Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate

Base Information

• Chemical Name: Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate
• CAS No.: 158553-36-7
• Molecular Formula: C16H23 N5 O2
• Molecular Weight: 317.3861
• DSSTox Substance ID: DTXSID30166446
• Nikkaji Number: J545.153A
• Wikidata: Q83035627
• Mol file: 158553-36-7.mol

Synonyms:1-(2-(5-(3,4-Dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)piperidine hydrate;Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate;158553-36-7;C16H23N5O2.H2O;DTXSID30166446;C16-H23-N5-O2.H2-O;LS-115091;5-(3,4-Dimethoxyphenyl)-2-(2-piperidinoethyl)-2H-tetrazole

Chemical Property of Piperidine, 1-(2-(5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl)ethyl)-, hydrate

Chemical Property:

• Vapor Pressure: 1.17E-09mmHg at 25°C
• Boiling Point: 487.6°Cat760mmHg
• PKA: 8.37±0.10(Predicted)
• Flash Point: 248.7°C
• PSA: 65.30000
• Density: 1.26g/cm³
• LogP: 1.78110
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 317.18517499
• Heavy Atom Count: 23
• Complexity: 353

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=NN(N=N2)CCN3CCCCC3)OC