| CAS Number | 92779-83-4 |
| Catalog Number | AG01AAB2(AGN-PC-0W19NA) |
| Chemical Name | 1-Phenylhexan-1-amine |
| IUPAC Name | 1-phenylhexan-1-amine |
| InChI | InChI=1S/C12H19N/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9,12H,2-3,5,10,13H2,1H3 |
| InChI Key | AGKIPYDSTSIPBU-UHFFFAOYSA-N |
| MDL Number | MFCD11184389 |
| Molecular Formula | C12H19N |
| Molecular Weight | 177.2860 |
| SMILES | CCCCCC(C1=CC=CC=C1)N |
| Synonyms | 1-phenylhexan-1-amine,
92779-83-4,
1-phenyl-hexylamine,
AC1L2CNJ,
AC1Q2VOI,
SCHEMBL869237,
AC1Q507R,
AKOS005289352,
MCULE-9743644044,
NE15065,
EN300-67673,
Z1263811644,
CID44818,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.291g/mol |
| Monoisotopic Mass | 177.152g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number