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723286-79-1 molecular structure
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4-(dibenzylamino)cyclohexan-1-one

ChemBase ID: 69040
Molecular Formular: C20H23NO
Molecular Mass: 293.40272
Monoisotopic Mass: 293.17796436
SMILES and InChIs

SMILES:
C1(=O)CCC(CC1)N(Cc1ccccc1)Cc1ccccc1
Canonical SMILES:
O=C1CCC(CC1)N(Cc1ccccc1)Cc1ccccc1
InChI:
InChI=1S/C20H23NO/c22-20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKey:
ZDHRRHRWHFBMQV-UHFFFAOYSA-N

Cite this record

CBID:69040 http://www.chembase.cn/molecule-69040.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(dibenzylamino)cyclohexan-1-one
IUPAC Traditional name
4-(dibenzylamino)cyclohexan-1-one
Synonyms
4-(Dibenzylamino)cyclohexanone
CAS Number
723286-79-1
149506-79-6
MDL Number
MFCD16659682
PubChem SID
162034769
PubChem CID
22009902

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.714424  H Acceptors
H Donor LogD (pH = 5.5) 1.0112209 
LogD (pH = 7.4) 2.5552933  Log P 4.2591686 
Molar Refractivity 90.8689 cm3 Polarizability 35.581474 Å3
Polar Surface Area 20.31 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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