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67485-29-4 molecular structure
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2-(2-{1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene}hydrazin-1-yl)-5,5-dimethyl-1,4,5,6-tetrahydropyrimidine

ChemBase ID: 127734
Molecular Formular: C25H24F6N4
Molecular Mass: 494.4752792
Monoisotopic Mass: 494.19051611
SMILES and InChIs

SMILES:
FC(F)(F)c1ccc(cc1)/C=C/C(=N/NC1=NCC(C)(C)CN1)/C=C/c1ccc(cc1)C(F)(F)F
Canonical SMILES:
CC1(C)CNC(=NC1)N/N=C(/C=C/c1ccc(cc1)C(F)(F)F)\C=C\c1ccc(cc1)C(F)(F)F
InChI:
InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)
InChIKey:
IQVNEKKDSLOHHK-UHFFFAOYSA-N

Cite this record

CBID:127734 http://www.chembase.cn/molecule-127734.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-{1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene}hydrazin-1-yl)-5,5-dimethyl-1,4,5,6-tetrahydropyrimidine
IUPAC Traditional name
2-(2-{1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene}hydrazin-1-yl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
Synonyms
Hydramethylnon
CAS Number
67485-29-4
PubChem SID
162222052
PubChem CID
5281875
CHEBI ID
38531
CHEMBL
464812
Chemspider ID
4445168
KEGG ID
C10994
Wikipedia Title
Hydramethylnon

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.829907  LogD (pH = 7.4) 7.100231 
Log P 7.223731  Molar Refractivity 136.6954 cm3
Polarizability 44.92804 Å3 Polar Surface Area 48.78 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
yellow to orange crystalline solid expand Show data source
Melting Point
185-190 °C expand Show data source
NFPA704
NFPA 704 diagram
1
1
0
expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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