| CAS Number | 654662-97-2 |
| Catalog Number | AG019VV3(AGN-PC-06GNKX) |
| Chemical Name | 4-[2-(2-methylphenyl)ethyl]piperidine |
| IUPAC Name | 4-[2-(2-methylphenyl)ethyl]piperidine |
| InChI | InChI=1S/C14H21N/c1-12-4-2-3-5-14(12)7-6-13-8-10-15-11-9-13/h2-5,13,15H,6-11H2,1H3 |
| InChI Key | SRINKQNUZYWURJ-UHFFFAOYSA-N |
| MDL Number | MFCD11186215 |
| Molecular Formula | C14H21N |
| Molecular Weight | 203.3232 |
| SMILES | CC1=C(CCC2CCNCC2)C=CC=C1 |
| Synonyms | 4-[2-(2-methylphenyl)ethyl]piperidine,
654662-97-2,
EN300-49607,
AC1Q2F1U,
SCHEMBL3086360,
CTK6C2041,
SRINKQNUZYWURJ-UHFFFAOYSA-N,
ZINC36379536,
AKOS009321458,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.329g/mol |
| Monoisotopic Mass | 203.167g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number