| CAS Number | 97664-58-9 |
| Catalog Number | AG01E6HF(AGN-PC-0NDN5I) |
| Chemical Name | 6-(4-Phenylbutoxy)-1-hexanamine |
| IUPAC Name | 6-(4-phenylbutoxy)hexan-1-amine |
| InChI | InChI=1S/C16H27NO/c17-13-7-1-2-8-14-18-15-9-6-12-16-10-4-3-5-11-16/h3-5,10-11H,1-2,6-9,12-15,17H2 |
| InChI Key | GNSOSZKMHANCMP-UHFFFAOYSA-N |
| MDL Number | MFCD31568296 |
| Molecular Formula | C16H27NO |
| Molecular Weight | 249.3917 |
| SMILES | NCCCCCCOCCCCc1ccccc1 |
| Synonyms | 1-Hexanamine, 6-(4-phenylbutoxy)-,
97664-58-9,
ACMC-20m1nb,
6-(4-phenylbutoxy)hexylamine,
SCHEMBL469643,
6-(4-Phenylbutoxy)-hexylamine,
CTK3G8156,
DTXSID40450166,
GNSOSZKMHANCMP-UHFFFAOYSA-N,
ZINC34582845,
AKOS030255060,
D-2543,
6-(4-phenylbutoxy)hexan-1-amine,
CID10966902,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.398g/mol |
| Monoisotopic Mass | 249.209g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number