| CAS Number | 5117-87-3 |
| Catalog Number | AG00DFXT(AGN-PC-0NEJ5V) |
| Chemical Name | 2-Amino-4-methylfuran-3-carbonitrile |
| IUPAC Name | 2-amino-4-methylfuran-3-carbonitrile |
| InChI | InChI=1S/C6H6N2O/c1-4-3-9-6(8)5(4)2-7/h3H,8H2,1H3 |
| InChI Key | IPEZLDLJNUPTMI-UHFFFAOYSA-N |
| MDL Number | MFCD09038074 |
| Molecular Formula | C6H6N2O |
| Molecular Weight | 122.1246 |
| SMILES | N#CC1=C(N)OC=C1C |
| Synonyms | 2-amino-4-methylfuran-3-carbonitrile,
5117-87-3,
2-AMINO-4-METHYL-3-FURONITRILE,
SCHEMBL1819731,
2-amino-3-cyano-4-methylfuran,
CTK4J3814,
DTXSID20451999,
IPEZLDLJNUPTMI-UHFFFAOYSA-N,
7113AB,
MFCD09038074,
ZINC71261189,
AKOS006329849,
AS-43130,
AJ-117907,
Z2687203882,
C6H6N2O,
2-amino-4-methyl-furan-3-carbonitrile,
CID11018853,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.127g/mol |
| Monoisotopic Mass | 122.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 63A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number