| CAS Number | 86027-00-1 |
| Catalog Number | AG00IDV7(AGN-PC-0V2MLW) |
| Chemical Name | 4,5-Dimethyl-1H-imidazole formate |
| IUPAC Name | 4,5-dimethyl-1H-imidazole;formic acid |
| InChI | InChI=1S/C5H8N2.CH2O2/c1-4-5(2)7-3-6-4;2-1-3/h3H,1-2H3,(H,6,7);1H,(H,2,3) |
| InChI Key | GSPFRBUPJBNHHJ-UHFFFAOYSA-N |
| MDL Number | MFCD17926413 |
| Molecular Formula | C6H10N2O2 |
| Molecular Weight | 142.1558 |
| SMILES | CC1=C(C)N=CN1.O=CO |
| Synonyms | 4,5-Dimethyl-1H-imidazole formate,
86027-00-1,
AK157739,
KS-00000SFI,
MFCD28101701,
AKOS024258961,
4,5-dimethyl-1H-imidazole;formic acid,
CS-W004026,
DS-9101,
SC-82371,
ST24042607,
|
| Complexity | 73.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.158g/mol |
| Monoisotopic Mass | 142.074g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number