| CAS Number | 31058-08-9 |
| Catalog Number | AG019XY4(AGN-PC-0NK1EB) |
| Chemical Name | 2-(Ethylamino)-2-methylpropanenitrile |
| IUPAC Name | 2-(ethylamino)-2-methylpropanenitrile |
| InChI | InChI=1S/C6H12N2/c1-4-8-6(2,3)5-7/h8H,4H2,1-3H3 |
| InChI Key | HOFRQIRBOREDMY-UHFFFAOYSA-N |
| MDL Number | MFCD10014458 |
| Molecular Formula | C6H12N2 |
| Molecular Weight | 112.1729 |
| SMILES | CCNC(C#N)(C)C |
| Synonyms | 2-(ethylamino)-2-methylpropanenitrile,
31058-08-9,
AC1Q31EN,
alpha-ethylamino-isobutyronitrile,
SCHEMBL10909416,
CTK6F2112,
MFCD10014458,
ZINC20177638,
AKOS009118497,
NE28260,
BS-12125,
FT-0757841,
EN300-56367,
|
| Complexity | 107 |
| 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 | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number