| CAS Number | 1346542-37-7 |
| Catalog Number | AG00HTF2(AGN-PC-0WCXMZ) |
| Chemical Name | (2-Chloropyrimidin-4-yl)methanamine hydrochloride |
| IUPAC Name | (2-chloropyrimidin-4-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C5H6ClN3.ClH/c6-5-8-2-1-4(3-7)9-5;/h1-2H,3,7H2;1H |
| InChI Key | VADFHUSNTYTRHY-UHFFFAOYSA-N |
| MDL Number | MFCD28386122 |
| Molecular Formula | C5H7Cl2N3 |
| Molecular Weight | 180.0352 |
| SMILES | NCC1=NC(Cl)=NC=C1.[H]Cl |
| Synonyms | (2-Chloropyrimidin-4-yl)methanamine hydrochloride,
1346542-37-7,
(2-Chloropyrimidin-4-yl)methanamine HCl,
4-Pyrimidinemethanamine, 2-chloro-, hydrochloride (1:1),
(2-chloropyrimidin-4-yl)methanamine;hydrochloride,
SCHEMBL17601001,
VADFHUSNTYTRHY-UHFFFAOYSA-N,
MFCD28386122,
AKOS025293392,
AS-52470,
CS-0053530,
4-(Aminomethyl)-2-chloropyrimidine Hydrochloride,
2-Phenyl-1,3-dioxan-5-ol,
1708-40-3,
N/A,
|
| Complexity | 88.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.032g/mol |
| Monoisotopic Mass | 179.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number