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936329-94-1 molecular structure
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potassium trifluoro(morpholin-4-ylmethyl)boranuide

ChemBase ID: 45013
Molecular Formular: C5H10BF3KNO
Molecular Mass: 207.0435096
Monoisotopic Mass: 207.04446069
SMILES and InChIs

SMILES:
C(N1CCOCC1)[B-](F)(F)F.[K+]
Canonical SMILES:
F[B-](CN1CCOCC1)(F)F.[K+]
InChI:
InChI=1S/C5H10BF3NO.K/c7-6(8,9)5-10-1-3-11-4-2-10;/h1-5H2;/q-1;+1
InChIKey:
KYDJCUCIKMUKQU-UHFFFAOYSA-N

Cite this record

CBID:45013 http://www.chembase.cn/molecule-45013.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium trifluoro(morpholin-4-ylmethyl)boranuide
IUPAC Traditional name
potassium trifluoro(morpholin-4-ylmethyl)boranuide
Synonyms
Potassium (morpholin-4-yl)methyltrifluoroborate
CAS Number
936329-94-1
MDL Number
MFCD10566512
PubChem SID
162049776
PubChem CID
45588142

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 45588142 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.48825702  LogD (pH = 7.4) 0.4883982 
Log P 0.4884  Molar Refractivity 32.2905 cm3
Polarizability 13.168486 Å3 Polar Surface Area 12.47 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
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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