| CAS Number | 919491-64-8 |
| Catalog Number | AG01B6HH(AGN-PC-07A23L) |
| Chemical Name | 3-[Methyl(pentyl)amino]propanenitrile |
| IUPAC Name | 3-[methyl(pentyl)amino]propanenitrile |
| InChI | InChI=1S/C9H18N2/c1-3-4-5-8-11(2)9-6-7-10/h3-6,8-9H2,1-2H3 |
| InChI Key | WCYOUTNXDJQKJM-UHFFFAOYSA-N |
| MDL Number | MFCD11129821 |
| Molecular Formula | C9H18N2 |
| Molecular Weight | 154.2526 |
| SMILES | CCCCCN(CCC#N)C |
| Synonyms | 3-[METHYL(PENTYL)AMINO]PROPANENITRILE,
919491-64-8,
Propanenitrile, 3-(methylpentylamino)-,
SCHEMBL5613764,
CTK3H3371,
DTXSID40443937,
3-(methylpentylamino)propionitrile,
ZINC19834147,
AKOS000207950,
Z137832996,
3-(methyl-pentyl-amino)propanenitrile,
CID10725577,
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| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.257g/mol |
| Monoisotopic Mass | 154.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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