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25895-63-0 molecular structure
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potassium cyano(2H3)boranuide

ChemBase ID: 137351
Molecular Formular: CH3BKN
Molecular Mass: 78.95052
Monoisotopic Mass: 78.99956118
SMILES and InChIs

SMILES:
[BH2-]C#N.[K+]
Canonical SMILES:
[BH2-]C#N.[K+]
InChI:
InChI=1S/CH3BN.K/c2-1-3;/h2H3;/q-1;+1
InChIKey:
ZNBXOJRKRYPEJV-UHFFFAOYSA-N

Cite this record

CBID:137351 http://www.chembase.cn/molecule-137351.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium cyano(2H3)boranuide
IUPAC Traditional name
potassium cyano(2H3)boranuide
Synonyms
Potassium cyanoborodeuteride
氰基硼氘化钾
CAS Number
25895-63-0
MDL Number
MFCD00192413
PubChem SID
162231614
24864269
PubChem CID
23676758

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
389242 external link Add to cart Please log in.
Data Source Data ID
PubChem 23676758 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5879  LogD (pH = 7.4) -1.5879 
Log P -1.5879  Molar Refractivity 9.0556 cm3
Polarizability 4.7723866 Å3 Polar Surface Area 23.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Mass Shift
M+3 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
3179 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-26/27/28-32-34 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H228-H300-H310-H314-H330 expand Show data source
GHS Precautionary statements
P210-P260-P264-P280-P284-P301 + P310 expand Show data source
RID/ADR
UN 3179 4.1/PG 2 expand Show data source
Isotopic Purity
98 atom % D expand Show data source
Linear Formula
KBD3CN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 389242 external link
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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