| CAS Number | 877825-73-5 |
| Catalog Number | AG019PJ8 |
| Chemical Name | 2-(4-Hydroxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile |
| IUPAC Name | 2-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile |
| InChI | InChI=1S/C13H17N3O/c1-15-6-8-16(9-7-15)13(10-14)11-2-4-12(17)5-3-11/h2-5,13,17H,6-9H2,1H3 |
| InChI Key | PMWBLBVQEKZKNT-UHFFFAOYSA-N |
| MDL Number | MFCD07847854 |
| Molecular Formula | C13H17N3O |
| Molecular Weight | 231.2936 |
| SMILES | CN1CCN(C(C2=CC=C(O)C=C2)C#N)CC1 |
| Synonyms | 2-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile,
(4-hydroxyphenyl)(4-methylpiperazin-1-yl)acetonitrile,
877825-73-5,
EN300-23902,
AC1Q3ZTF,
CHEMBL3234003,
CTK6I2935,
HMS1776O09,
AKOS009085809,
MCULE-4596605848,
NE13743,
SEL11160226,
NCGC00342928-01,
AB01334782-02,
Z168883372,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.299g/mol |
| Monoisotopic Mass | 231.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number