| CAS Number | 1289386-54-4 |
| Catalog Number | AG009DE4(AGN-PC-0WA33H) |
| Chemical Name | N-((6-chloropyridazin-3-yl)methyl)cyclopropanamine hydrochloride |
| IUPAC Name | N-[(6-chloropyridazin-3-yl)methyl]cyclopropanamine |
| InChI | InChI=1S/C8H10ClN3/c9-8-4-3-7(11-12-8)5-10-6-1-2-6/h3-4,6,10H,1-2,5H2 |
| InChI Key | KSOUYMJPPURPOA-UHFFFAOYSA-N |
| MDL Number | MFCD18837140 |
| Molecular Formula | C8H10ClN3 |
| Molecular Weight | 183.6381 |
| SMILES | Clc1ccc(nn1)CNC1CC1 |
| Synonyms | 1289386-54-4,
N-((6-Chloropyridazin-3-yl)methyl)cyclopropanamine,
(6-Chloro-pyridazin-3-ylmethyl)-cyclopropyl-amine,
ZINC66322957,
AKOS015940693,
AM91577,
AB1009936,
AJ-115923,
(6-Chloro-pyridazin-3-ylmethyl)cyclopropylamine,
(6-Chloropyridazin-3-ylmethyl)cyclopropylamine,
null,
6-chloro-N-cyclopropyl-3-Pyridazinemethanamine,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.639g/mol |
| Monoisotopic Mass | 183.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number