| CAS Number | 70206-50-7 |
| Catalog Number | AG01DO42(AGN-PC-0KPWXN) |
| Chemical Name | 2-[(Pyridin-4-ylmethyl)-amino]-ethanol |
| IUPAC Name | 2-(pyridin-4-ylmethylamino)ethanol |
| InChI | InChI=1S/C8H12N2O/c11-6-5-10-7-8-1-3-9-4-2-8/h1-4,10-11H,5-7H2 |
| InChI Key | KPFBTUXUBQAHJR-UHFFFAOYSA-N |
| MDL Number | MFCD04035020 |
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.1937 |
| SMILES | OCCNCC1C=CN=CC=1 |
| Synonyms | 2-[(Pyridin-4-ylmethyl)-amino]-ethanol,
70206-50-7,
2-((Pyridin-4-ylmethyl)amino)ethanol,
2-(4-pyridylmethyl amino) ethanol,
2-(pyridin-4-ylmethylamino)ethanol,
AC1MKB42,
SCHEMBL6831037,
CTK8A5385,
DTXSID80390052,
ZINC2522940,
8413AE,
AKOS002624765,
MCULE-9303555054,
AM101163,
Ethanol, 2-[(4-pyridinylmethyl)amino]-,
TR-041804,
2-[(4-Pyridinylmethyl)amino]ethanol, AldrichCPR,
C8H12N2O,
CID3154450,
|
| Complexity | 92.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.197g/mol |
| Monoisotopic Mass | 152.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number