| CAS Number | 743444-74-8 |
| Catalog Number | AG019J68 |
| Chemical Name | 2-{[(furan-2-yl)methyl]amino}-2-methylpropanenitrile |
| IUPAC Name | 2-(furan-2-ylmethylamino)-2-methylpropanenitrile |
| InChI | InChI=1S/C9H12N2O/c1-9(2,7-10)11-6-8-4-3-5-12-8/h3-5,11H,6H2,1-2H3 |
| InChI Key | IRXMMSNGPVZGDR-UHFFFAOYSA-N |
| MDL Number | MFCD05263183 |
| Molecular Formula | C9H12N2O |
| Molecular Weight | 164.2044 |
| SMILES | CC(C#N)(NCC1OC=CC=1)C |
| Synonyms | 2-[(furan-2-ylmethyl)amino]-2-methylpropanenitrile,
2-[(2-furylmethyl)amino]-2-methylpropanenitrile,
743444-74-8,
AC1Q1NNI,
AC1M29WF,
CTK7C5488,
HMS1756E03,
ZINC20177672,
NE34699,
EN300-08666,
2-(furan-2-ylmethylamino)-2-methylpropanenitrile,
CID2113352,
2-(2-furylmethylamino)-2-methyl-propanenitrile,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.208g/mol |
| Monoisotopic Mass | 164.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number