| CAS Number | 50331-70-9 |
| Catalog Number | AG01BTUX(AGN-PC-02KPB9) |
| Chemical Name | N-(2-aminoethyl)-N-benzylpyridin-2-amine |
| IUPAC Name | N'-benzyl-N'-pyridin-2-ylethane-1,2-diamine |
| InChI | InChI=1S/C14H17N3/c15-9-11-17(14-8-4-5-10-16-14)12-13-6-2-1-3-7-13/h1-8,10H,9,11-12,15H2 |
| InChI Key | ALHRAUKTLRQUEV-UHFFFAOYSA-N |
| MDL Number | MFCD12907529 |
| Molecular Formula | C14H17N3 |
| Molecular Weight | 227.3049 |
| SMILES | NCCN(C1=NC=CC=C1)CC1=CC=CC=C1 |
| Synonyms | 50331-70-9,
N1-benzyl-N1-(pyridin-2-yl)ethane-1,2-diamine,
N-(2-aminoethyl)-N-benzylpyridin-2-amine,
SCHEMBL7095181,
ALHRAUKTLRQUEV-UHFFFAOYSA-N,
ZINC38033121,
AKOS010242948,
2-[N-(2-aminoethyl)-N-benzylamino]pyridine,
Z2756841932,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.311g/mol |
| Monoisotopic Mass | 227.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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