| CAS Number | 6850-52-8 |
| Catalog Number | AG01AIY4(AGN-PC-0WO66S) |
| Chemical Name | 3-ethylcyclohexan-1-amine |
| IUPAC Name | 3-ethylcyclohexan-1-amine |
| InChI | InChI=1S/C8H17N/c1-2-7-4-3-5-8(9)6-7/h7-8H,2-6,9H2,1H3 |
| InChI Key | AYIHVGHQMYIGRH-UHFFFAOYSA-N |
| MDL Number | MFCD19381971 |
| Molecular Formula | C8H17N |
| Molecular Weight | 127.2273 |
| SMILES | CCC1CC(N)CCC1 |
| Synonyms | 3-ethylcyclohexan-1-amine,
6850-52-8,
SCHEMBL895042,
AKOS013584478,
MCULE-8754064896,
NE33617,
EN300-79321,
Z1787185010,
|
| Complexity | 80.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.231g/mol |
| Monoisotopic Mass | 127.136g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number