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83200-10-6 molecular structure
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2-(3-methoxyphenyl)-2-(3-{[2-(3-methoxyphenyl)ethyl](methyl)amino}propyl)tetradecanenitrile

ChemBase ID: 125867
Molecular Formular: C34H52N2O2
Molecular Mass: 520.78888
Monoisotopic Mass: 520.40287891
SMILES and InChIs

SMILES:
CCCCCCCCCCCCC(CCCN(C)CCc1cc(OC)ccc1)(C#N)c1cc(OC)ccc1
Canonical SMILES:
CCCCCCCCCCCCC(c1cccc(c1)OC)(CCCN(CCc1cccc(c1)OC)C)C#N
InChI:
InChI=1S/C34H52N2O2/c1-5-6-7-8-9-10-11-12-13-14-23-34(29-35,31-19-16-21-33(28-31)38-4)24-17-25-36(2)26-22-30-18-15-20-32(27-30)37-3/h15-16,18-21,27-28H,5-14,17,22-26H2,1-4H3
InChIKey:
PHFDAOXXIZOUIX-UHFFFAOYSA-N

Cite this record

CBID:125867 http://www.chembase.cn/molecule-125867.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-methoxyphenyl)-2-(3-{[2-(3-methoxyphenyl)ethyl](methyl)amino}propyl)tetradecanenitrile
IUPAC Traditional name
anipamil
Synonyms
Anipamil
CAS Number
83200-10-6
EC Number
280-213-5
PubChem SID
162220212
PubChem CID
54966
Chemspider ID
49636
MeSH Name
Anipamil
Wikipedia Title
Anipamil

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.097084  LogD (pH = 7.4) 7.252991 
Log P 9.517196  Molar Refractivity 161.1829 cm3
Polarizability 63.142845 Å3 Polar Surface Area 45.49 Å2
Rotatable Bonds 21  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

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