| CAS Number | 790611-03-9 |
| Catalog Number | AG00GO6C(AGN-PC-0WO7ZO) |
| Chemical Name | 2-Amino-2-cyclohexylpropanenitrile |
| IUPAC Name | 2-amino-2-cyclohexylpropanenitrile |
| InChI | InChI=1S/C9H16N2/c1-9(11,7-10)8-5-3-2-4-6-8/h8H,2-6,11H2,1H3 |
| InChI Key | SIJSEFVGBWJZDO-UHFFFAOYSA-N |
| MDL Number | MFCD12065535 |
| Molecular Formula | C9H16N2 |
| Molecular Weight | 152.2367 |
| SMILES | CC(C1CCCCC1)(C#N)N |
| Synonyms | 2-amino-2-cyclohexylpropanenitrile,
790611-03-9,
Cyclohexaneacetonitrile, alpha-amino-alpha-methyl- (9CI),
SCHEMBL11331761,
MFCD12065535,
AKOS008139142,
MCULE-4111300553,
NE15384,
BS-12262,
EN300-77975,
Cyclohexaneacetonitrile,alpha-amino-alpha-methyl-,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.241g/mol |
| Monoisotopic Mass | 152.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number