| CAS Number | 96616-23-8 |
| Catalog Number | AG00J0US(AGN-PC-0W6AQS) |
| Chemical Name | [4-(2-pyridinylmethyl)phenyl]amine dihydrochloride |
| IUPAC Name | 4-(pyridin-2-ylmethyl)aniline;dihydrochloride |
| InChI | InChI=1S/C12H12N2.2ClH/c13-11-6-4-10(5-7-11)9-12-3-1-2-8-14-12;;/h1-8H,9,13H2;2*1H |
| InChI Key | ZWXAJYVBYLQVQA-UHFFFAOYSA-N |
| MDL Number | MFCD08070700 |
| Molecular Formula | C12H14Cl2N2 |
| Molecular Weight | 257.1590 |
| SMILES | NC(C=C1)=CC=C1CC2=CC=CC=N2.Cl.Cl |
| Synonyms | 4-(pyridin-2-ylmethyl)aniline Dihydrochloride,
96616-23-8,
[4-(PYRIDIN-2-YLMETHYL)PHENYL]AMINE DIHYDROCHLORIDE,
ZX-CM000471,
Benzenamine,4-(2-pyridinylmethyl)-,
AKOS024397071,
MCULE-2176964770,
SC-60622,
4-(2-pyridinylmethyl)aniline dihydrochloride,
[4-(2-pyridinylmethyl)phenyl]amine dihydrochloride,
A831898,
AC1O5UD6,
CID6463743,
58498-12-7,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.053404g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.16g/mol |
| Monoisotopic Mass | 256.053404g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number