| CAS Number | 13603-18-4 |
| Catalog Number | AG009DRI(AGN-PC-0WB3M3) |
| Chemical Name | 3-Isopropylpiperidine |
| IUPAC Name | 3-propan-2-ylpiperidine |
| InChI | InChI=1S/C8H17N/c1-7(2)8-4-3-5-9-6-8/h7-9H,3-6H2,1-2H3 |
| InChI Key | FKEYLVBZOQMOOV-UHFFFAOYSA-N |
| MDL Number | MFCD13188554 |
| Molecular Formula | C8H17N |
| Molecular Weight | 127.2273 |
| SMILES | CC(C)C1CCCNC1 |
| Synonyms | 3-Isopropylpiperidine,
13603-18-4,
3-(Propan-2-yl)piperidine,
3-Isopropylpiperidine #,
3-propan-2-ylpiperidine,
AC1LBT6R,
Piperidine, 3-isopropyl-,
SCHEMBL806895,
3-isopropylpiperidine(SALTDATA,
FKEYLVBZOQMOOV-UHFFFAOYSA-N,
MFCD13188554,
AKOS006345504,
MCULE-3374264203,
Y-7344,
F8889-6944,
Z1762997541,
CID541786,
|
| Complexity | 78.6 |
| 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 | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number