| CAS Number | 173590-30-2 |
| Catalog Number | AG00J2VX(AGN-PC-0WB6HW) |
| Chemical Name | 4-(3-pyrrolidinyl)-1H-imidazole dihydrochloride |
| IUPAC Name | 5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride |
| InChI | InChI=1S/C7H11N3.2ClH/c1-2-8-3-6(1)7-4-9-5-10-7;;/h4-6,8H,1-3H2,(H,9,10);2*1H |
| InChI Key | CBLAJQFSHNKFGN-UHFFFAOYSA-N |
| MDL Number | MFCD26937571 |
| Molecular Formula | C7H13Cl2N3 |
| Molecular Weight | 210.1042 |
| SMILES | N1=CNC=C1C1CCNC1.Cl.Cl |
| Synonyms | 173590-30-2,
4-(3-pyrrolidinyl)-1H-imidazole dihydrochloride,
4-(Pyrrolidin-3-yl)-1H-imidazole dihydrochloride,
4-PYRROLIDIN-3-YL-1H-IMIDAZOLE DIHYDROCHLORIDE,
ZX-CM010765,
MFCD26937571,
AKOS027426809,
T5721,
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| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.102g/mol |
| Monoisotopic Mass | 209.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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