6Nbe5XL6CN

Base Information

• Chemical Name: 6Nbe5XL6CN
• CAS No.: 139593-05-8
• Molecular Formula: C21H30ClN
• UNII: 6NBE5XL6CN
• Nikkaji Number: J543.578A

Synonyms:6NBE5XL6CN;SCHEMBL7310895;PD159785;SR-31742;1-[(2Z)-3-(3-chloro-4-cyclohexylphenyl)-2-propenyl]hexahydro-1H-Azepine;1H-Azepine, 1-[(2Z)-3-(3-chloro-4-cyclohexylphenyl)-2-propenyl]hexahydro-;1H-Azepine, 1-[3-(3-chloro-4-cyclohexylphenyl)-2-propenyl]hexahydro-, (Z)-;139593-05-8

Chemical Property of 6Nbe5XL6CN

Chemical Property:

• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 331.2066777
• Heavy Atom Count: 23
• Complexity: 353

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1CCCN(CC1)CC=CC2=CC(=C(C=C2)C3CCCCC3)Cl
• Isomeric SMILES: C1CCCN(CC1)C/C=C\C2=CC(=C(C=C2)C3CCCCC3)Cl

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