| CAS Number | 58577-08-5 |
| Catalog Number | AG00IAEQ(AGN-PC-0JN2RO) |
| Chemical Name | 2-AMINO-2-METHYLPENTANENITRILE |
| IUPAC Name | 2-amino-2-methylpentanenitrile |
| InChI | InChI=1S/C6H12N2/c1-3-4-6(2,8)5-7/h3-4,8H2,1-2H3 |
| InChI Key | GAVGQLYTJJGLTH-UHFFFAOYSA-N |
| MDL Number | MFCD09815416 |
| Molecular Formula | C6H12N2 |
| Molecular Weight | 112.1729 |
| SMILES | CCCC(C#N)(N)C |
| Synonyms | 2-amino-2-methylpentanenitrile,
58577-08-5,
Pentanenitrile, 2-amino-2-methyl-,
AC1Q4QSJ,
AC1L4LJ7,
2-amino-2-methylpentanonitrile,
SCHEMBL6551648,
CTK1H0925,
GAVGQLYTJJGLTH-UHFFFAOYSA-N,
rac-2-amino-2-methylpentanenitrile,
rac-2-amino-2-methylpentanonitrile,
MFCD09815416,
AKOS000156543,
AKOS022474825,
NE55156,
2-AMINO-2-METHYL-PENTANENITRILE,
AR-1D8178,
C6-H12-N2,
CID208880,
65104-06-5,
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| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.176g/mol |
| Monoisotopic Mass | 112.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number