| CAS Number | 67744-69-8 |
| Catalog Number | AG01AAPO(AGN-PC-095GJS) |
| Chemical Name | 3-(Methylamino)butanenitrile |
| IUPAC Name | 3-(methylamino)butanenitrile |
| InChI | InChI=1S/C5H10N2/c1-5(7-2)3-4-6/h5,7H,3H2,1-2H3 |
| InChI Key | XZFPBAZANKQKHS-UHFFFAOYSA-N |
| MDL Number | MFCD12812140 |
| Molecular Formula | C5H10N2 |
| Molecular Weight | 98.1463 |
| SMILES | CNC(CC#N)C |
| Synonyms | 3-(methylamino)butanenitrile,
67744-69-8,
AC1Q40T2,
CTK1J2981,
Butanenitrile, 3-(methylamino)-,
DTXSID60498267,
AKOS010138303,
MCULE-3748387165,
NE15571,
EN300-69242,
Z1083197920,
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| Complexity | 79.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 98.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 98.149g/mol |
| Monoisotopic Mass | 98.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number