| CAS Number | 85127-50-0 |
| Catalog Number | AG00IDJT(AGN-PC-00KRHE) |
| Chemical Name | (3-Methylpyridin-4-yl)methanamine dihydrochloride |
| IUPAC Name | (3-methylpyridin-4-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C7H10N2.2ClH/c1-6-5-9-3-2-7(6)4-8;;/h2-3,5H,4,8H2,1H3;2*1H |
| InChI Key | CCKLJVPDSMISSM-UHFFFAOYSA-N |
| MDL Number | MFCD09910172 |
| Molecular Formula | C7H12Cl2N2 |
| Molecular Weight | 195.0896 |
| SMILES | NCC1=C(C)C=NC=C1.[H]Cl.[H]Cl |
| Synonyms | 85127-50-0,
(3-Methylpyridin-4-yl)methanamine dihydrochloride,
4-AMINOMETHYL-3-METHYLPYRIDINE DIHYDROCHLORIDE,
SCHEMBL18764671,
ZX-CM003421,
4-Aminomethyl-3-methylpyridine 2HCl,
4277AH,
MFCD09910172,
AKOS015966475,
A-8596,
A40470,
(3-methylpyridin-4-yl)methanaminedihydrochloride,
1-(3-Methylpyridin-4-yl)methanamine dihydrochloride,
(3-Methylpyridin-4-yl)methanamine dihydrochloride, AldrichCPR,
C7H10N2.2HCl,
(3-Methylpyridin-4-yl)methanamine hydrochloride,
97004-05-2,
|
| Complexity | 83 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.087g/mol |
| Monoisotopic Mass | 194.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number