| CAS Number | 917572-29-3 |
| Catalog Number | AG006DMU(AGN-PC-0OMXTT) |
| Chemical Name | (R)-2-(4-Benzylmorpholin-3-Yl)Acetonitrile |
| IUPAC Name | 2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile |
| InChI | InChI=1S/C13H16N2O/c14-7-6-13-11-16-9-8-15(13)10-12-4-2-1-3-5-12/h1-5,13H,6,8-11H2/t13-/m1/s1 |
| InChI Key | WHWNIQPSJZCVPL-CYBMUJFWSA-N |
| MDL Number | MFCD10687127 |
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.2789 |
| SMILES | O1CCN(CC2C=CC=CC=2)[C@H](CC#N)C1 |
| Synonyms | (R)-4-Benzyl-3-cyanomethylmorpholine,
917572-29-3,
(R)-2-(4-Benzylmorpholin-3-yl)acetonitrile,
SCHEMBL2465904,
CTK5H0424,
KS-00001BFB,
DTXSID30650633,
MFCD10687127,
ZINC16696993,
AJ-69218,
[(3R)-4-Benzylmorpholin-3-yl]acetonitrile,
DB-016738,
RT-015275,
CS-0038822,
FT-0774023,
(R)-(4-Benzyl-morpholin-3-yl)-acetonitrile,
S14-2204,
2-[(3R)-4-BENZYLMORPHOLIN-3-YL]ACETONITRILE,
-4-BENZYL-3-CYANOMETHYLMORPHOLINE,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.284g/mol |
| Monoisotopic Mass | 216.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number