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MFCD08445500 molecular structure
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N,N,N',N'-tetracyclohexyldecanediamide

ChemBase ID: 92172
Molecular Formular: C34H60N2O2
Molecular Mass: 528.8524
Monoisotopic Mass: 528.46547917
SMILES and InChIs

SMILES:
O=C(CCCCCCCCC(=O)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1
Canonical SMILES:
O=C(N(C1CCCCC1)C1CCCCC1)CCCCCCCCC(=O)N(C1CCCCC1)C1CCCCC1
InChI:
InChI=1S/C34H60N2O2/c37-33(35(29-19-9-5-10-20-29)30-21-11-6-12-22-30)27-17-3-1-2-4-18-28-34(38)36(31-23-13-7-14-24-31)32-25-15-8-16-26-32/h29-32H,1-28H2
InChIKey:
UTVYLEGWWLNNLV-UHFFFAOYSA-N

Cite this record

CBID:92172 http://www.chembase.cn/molecule-92172.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N,N',N'-tetracyclohexyldecanediamide
IUPAC Traditional name
N,N,N',N'-tetracyclohexyldecanediamide
Synonyms
Sebacoyl biscyclohexylamide
MDL Number
MFCD08445500
PubChem SID
162078870
PubChem CID
224988

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 224988 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.746704  LogD (pH = 7.4) 8.746829 
Log P 8.74683  Molar Refractivity 158.431 cm3
Polarizability 62.867165 Å3 Polar Surface Area 40.62 Å2
Rotatable Bonds 13  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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