| CAS Number | 98952-77-3 |
| Catalog Number | AG019YQB(AGN-PC-0JPE06) |
| Chemical Name | 4-[(2-Hydroxyethyl)amino]benzonitrile |
| IUPAC Name | 4-(2-hydroxyethylamino)benzonitrile |
| InChI | InChI=1S/C9H10N2O/c10-7-8-1-3-9(4-2-8)11-5-6-12/h1-4,11-12H,5-6H2 |
| InChI Key | MWBQMSRVSRVKKX-UHFFFAOYSA-N |
| MDL Number | MFCD11153541 |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.1885 |
| NSC Number | 163449 |
| SMILES | OCCNC1=CC=C(C#N)C=C1 |
| Synonyms | 4-[(2-hydroxyethyl)amino]benzonitrile,
98952-77-3,
4-(2-hydroxyethylamino)benzonitrile,
4-((2-hydroxyethyl)amino)benzonitrile,
4-(N-2-hydroxyethyl)-aminobenzonitrile,
NSC163449,
AC1L6MB4,
SCHEMBL1063377,
CTK8A5272,
MWBQMSRVSRVKKX-UHFFFAOYSA-N,
ZINC1635682,
AKOS000259913,
MCULE-6789476487,
NE15009,
NSC-163449,
DA-00073,
FT-0766313,
A1-11294,
Z196118762,
CID294615,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.192g/mol |
| Monoisotopic Mass | 162.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number