| CAS Number | 244190-07-6 |
| Catalog Number | AG01AAOB(AGN-PC-0WO1RM) |
| Chemical Name | 3-[(2-Methylbutan-2-yl)amino]propanenitrile |
| IUPAC Name | 3-(2-methylbutan-2-ylamino)propanenitrile |
| InChI | InChI=1S/C8H16N2/c1-4-8(2,3)10-7-5-6-9/h10H,4-5,7H2,1-3H3 |
| InChI Key | IDQFWKMIYGRCAB-UHFFFAOYSA-N |
| MDL Number | MFCD11102166 |
| Molecular Formula | C8H16N2 |
| Molecular Weight | 140.2260 |
| SMILES | CCC(NCCC#N)(C)C |
| Synonyms | 3-[(2-methylbutan-2-yl)amino]propanenitrile,
244190-07-6,
AC1Q2RYE,
3-(tert-Amylamino)propionitrile,
ZINC34959902,
AKOS005357735,
MCULE-2257750378,
NE27856,
EN300-69139,
CID11446379,
3-(2-methylbutan-2-ylamino)propanenitrile,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.23g/mol |
| Monoisotopic Mass | 140.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number