| CAS Number | 49562-27-8 |
| Catalog Number | AG00376V(AGN-PC-00IZ9S) |
| Chemical Name | Docosanenitrile |
| EC Number | 256-375-8 |
| IUPAC Name | docosanenitrile |
| InChI | InChI=1S/C22H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-21H2,1H3 |
| InChI Key | HFTGJMVZTJBYLN-UHFFFAOYSA-N |
| MDL Number | MFCD32206150 |
| Molecular Formula | C22H43N |
| Molecular Weight | 321.5835 |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCC)#N |
| Synonyms | Docosanonitrile,
DOCOSANENITRILE,
49562-27-8,
EINECS 256-375-8,
SCHEMBL11095447,
CTK1D8412,
DTXSID40197847,
C22H43N,
C22-H43-N,
CID11970505,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.34g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.593g/mol |
| Monoisotopic Mass | 321.34g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 10.2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
|
\N
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Hazard statements
|
H302+H312+H332-H315-H319
|
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Packing Group
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\N
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
|
|
UN Code
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\N
|
Certificate of Analysis
Lot Number