| CAS Number | 1417568-63-8 |
| Catalog Number | AG00HW7P(AGN-PC-0WCAR3) |
| Chemical Name | 1-(3-Chloropropyl)-1H-imidazole hydrochloride |
| IUPAC Name | 1-(3-chloropropyl)imidazole;hydrochloride |
| InChI | InChI=1S/C6H9ClN2.ClH/c7-2-1-4-9-5-3-8-6-9;/h3,5-6H,1-2,4H2;1H |
| InChI Key | QICWHHJLFYBRQJ-UHFFFAOYSA-N |
| MDL Number | MFCD08668442 |
| Molecular Formula | C6H10Cl2N2 |
| Molecular Weight | 181.063 |
| SMILES | Cl.ClCCCN1C=NC=C1 |
| Synonyms | 1-(3-chloropropyl)-1H-imidazole hydrochloride,
1417568-63-8,
MFCD08668442,
AKOS030232272,
|
| Complexity | 77.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.06g/mol |
| Monoisotopic Mass | 180.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number