| CAS Number | 183012-99-9 |
| Catalog Number | AG00AD2W(AGN-PC-01LY13) |
| Chemical Name | 1-Isopropyl-1H-imidazole-5-carbaldehyde |
| IUPAC Name | 3-propan-2-ylimidazole-4-carbaldehyde |
| InChI | InChI=1S/C7H10N2O/c1-6(2)9-5-8-3-7(9)4-10/h3-6H,1-2H3 |
| InChI Key | VGIWEUWQSDSUIF-UHFFFAOYSA-N |
| MDL Number | MFCD14584628 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | O=CC1=CN=CN1C(C)C |
| Synonyms | 1-Isopropyl-1H-imidazole-5-carbaldehyde,
183012-99-9,
MFCD22495366,
1H-Imidazole-5-carboxaldehyde,1-(1-methylethyl)-(9CI),
SCHEMBL2053915,
VGIWEUWQSDSUIF-UHFFFAOYSA-N,
MFCD14584628,
ZINC39078411,
3-propan-2-ylimidazole-4-carbaldehyde,
AKOS013897659,
AJ-98019,
DB-065423,
FT-0715132,
1-(propan-2-yl)-1H-imidazole-5-carbaldehyde,
Y-7449,
1-(1-methylethyl)-1H-Imidazole-5-carboxaldehyde,
3-ISOPROPYLIMIDAZOLE-4-CARBALDEHYDE,
1-isopropyl-1H-imidazole-5-carbaldehyde hydrochloride,
1H-Imidazole-5-carboxaldehyde, 1-(1-methylethyl)- (9CI),
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.17g/mol |
| Monoisotopic Mass | 138.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number