| CAS Number | 6066-83-7 |
| Catalog Number | AG00F38Q(AGN-PC-00MVAJ) |
| Chemical Name | Pentanenitrile, 5-aMino- |
| IUPAC Name | 5-aminopentanenitrile |
| InChI | InChI=1S/C5H10N2/c6-4-2-1-3-5-7/h1-4,6H2 |
| InChI Key | JJUPHRIAFLAURY-UHFFFAOYSA-N |
| MDL Number | MFCD14684132 |
| Molecular Formula | C5H10N2 |
| Molecular Weight | 98.1463 |
| SMILES | C(CCN)CC#N |
| Synonyms | 5-aminopentanenitrile,
6066-83-7,
5-aminovaleronitrile,
Pentanenitrile, 5-amino-,
AC1Q54EH,
CTK8E5166,
5-Aminopentanenitrile hydrochoride,
MFCD14684132,
ZINC34077744,
AKOS008149392,
MCULE-4775375165,
NE24336,
TX-017157,
EN300-69360,
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| Complexity | 69.4 |
| 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 | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number