| CAS Number | 184888-17-3 |
| Catalog Number | AG01AAUU(AGN-PC-05EK72) |
| Chemical Name | 3-{[(oxolan-3-yl)methyl]amino}propanenitrile |
| IUPAC Name | 3-(oxolan-3-ylmethylamino)propanenitrile |
| InChI | InChI=1S/C8H14N2O/c9-3-1-4-10-6-8-2-5-11-7-8/h8,10H,1-2,4-7H2 |
| InChI Key | XOIIMBMFUNMUTA-UHFFFAOYSA-N |
| MDL Number | MFCD11166752 |
| Molecular Formula | C8H14N2O |
| Molecular Weight | 154.2096 |
| SMILES | N#CCCNCC1COCC1 |
| Synonyms | 3-[(oxolan-3-ylmethyl)amino]propanenitrile,
184888-17-3,
AC1Q4SDX,
AKOS009200895,
MCULE-7437826653,
NE49553,
3-{[(oxolan-3-yl)methyl]amino}propanenitrile,
EN300-69645,
Z1263811721,
3-[(Tetrahydro-furan-3-ylmethyl)-amino]-propionitrile,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.213g/mol |
| Monoisotopic Mass | 154.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number