| CAS Number | 60996-53-4 |
| Catalog Number | AG01AAVI(AGN-PC-0JSABP) |
| Chemical Name | 5,5-Dimethylhexan-1-amine |
| IUPAC Name | 5,5-dimethylhexan-1-amine |
| InChI | InChI=1S/C8H19N/c1-8(2,3)6-4-5-7-9/h4-7,9H2,1-3H3 |
| InChI Key | GAHCNYHAKKGGHF-UHFFFAOYSA-N |
| MDL Number | MFCD09913598 |
| Molecular Formula | C8H19N |
| Molecular Weight | 129.2432 |
| SMILES | CC(CCCCN)(C)C |
| Synonyms | 5,5-dimethylhexan-1-amine,
60996-53-4,
Tertiary octyl amine,
AC1LAWAG,
AC1Q1MIK,
1-amino-5,5-dimethylhexane,
SCHEMBL73901,
ZINC32154901,
AKOS008149607,
NE29704,
EN300-69686,
5,5-dimethyl-1-hexanamine,
CID521948,
|
| Complexity | 61.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.247g/mol |
| Monoisotopic Mass | 129.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number