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285978-21-4 molecular structure
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silver(15N)carbonitrile

ChemBase ID: 138394
Molecular Formular: CAgN
Molecular Mass: 135.87166374
Monoisotopic Mass: 134.90856074
SMILES and InChIs

SMILES:
[13C](#[15N])[Ag]
Canonical SMILES:
[Ag][13C]#[15N]
InChI:
InChI=1S/CN.Ag/c1-2;/i1+1,2+1;
InChIKey:
MFIHOCAEOJNSOL-AWQJXPNKSA-N

Cite this record

CBID:138394 http://www.chembase.cn/molecule-138394.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
silver(15N)carbonitrile
IUPAC Traditional name
silver(15N)carbonitrile
Synonyms
Silver cyanide-13C,15N
氰化银-13C,15N
CAS Number
285978-21-4
MDL Number
MFCD01075403
PubChem SID
162232650
24872236
PubChem CID
71310138

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
487023 external link Add to cart Please log in.
Data Source Data ID
PubChem 71310138 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8399  LogD (pH = 7.4) -0.8399 
Log P -0.8399  Molar Refractivity 6.6556 cm3
Polarizability 7.119575 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+2 expand Show data source
UN Number
1684 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H310-H318-H330-H410 expand Show data source
GHS Precautionary statements
P260-P264-P273-P280-P284-P301 + P310 expand Show data source
RID/ADR
UN 1684 6.1/PG 2 expand Show data source
Isotopic Purity
99 atom % 13C expand Show data source
99 atom % 15N expand Show data source
Mol. Weight
mol wt 135.84 by atom % calculation expand Show data source
Linear Formula
Ag13C15N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 487023 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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