3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid

Base Information

• Chemical Name: 3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid
• CAS No.: 1119449-77-2
• Molecular Formula: C17H23NO3
• Molecular Weight: 289.36942
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID401148013
• Mol file: 1119449-77-2.mol

Synonyms:DTXSID401148013;AKOS017424241;3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid

Chemical Property of 3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid

Chemical Property:

• PSA: 49.77000
• LogP: 3.10690
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 289.16779360
• Heavy Atom Count: 21
• Complexity: 348

Purity/Quality:

98%min ^*data from raw suppliers

(2E)-3-[3-(Azepan-1-ylmethyl)-4-methoxyphenyl]acrylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)CN2CCCCCC2