Home > Compound List > Compound details
15492-48-5 molecular structure
click picture or here to close

praseodymium(3+) ion tris((3Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)

ChemBase ID: 295233
Molecular Formular: C33H57O6Pr
Molecular Mass: 690.70973
Monoisotopic Mass: 690.32316654
SMILES and InChIs

SMILES:
CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Pr+3]
Canonical SMILES:
[O-]/C(=C\C(=O)C(C)(C)C)/C(C)(C)C.[O-]/C(=C\C(=O)C(C)(C)C)/C(C)(C)C.[O-]/C(=C\C(=O)C(C)(C)C)/C(C)(C)C.[Pr+3]
InChI:
InChI=1S/3C11H20O2.Pr/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3/b3*8-7-;
InChIKey:
HDONDLBRVFKILD-LWTKGLMZSA-K

Cite this record

CBID:295233 http://www.chembase.cn/molecule-295233.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
praseodymium(3+) ion tris((3Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
IUPAC Traditional name
praseodymium(3+) ion tris((3Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
Synonyms
Praseodymium(III)-DPM
Pr(TMHD)3
Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)praseodymium(III)
三(2,2,6,6-四甲基-3,5-庚二酮酸)镨(III)
CAS Number
15492-48-5
EC Number
239-522-0
MDL Number
MFCD00000027
PubChem SID
180680764
PubChem CID
5489947

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
A12259 external link Add to cart Please log in.
Data Source Data ID
PubChem 5489947 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.938291  H Acceptors
H Donor LogD (pH = 5.5) 3.4095163 
LogD (pH = 7.4) 3.408277  Log P 3.4095323 
Molar Refractivity 66.2857 cm3 Polarizability 21.147709 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
219-221°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle