| CAS Number | 1019400-32-8 |
| Catalog Number | AG01A9S3 |
| Chemical Name | N-[4-(aminomethyl)phenyl]-4-butylcyclohexane-1-carboxamide |
| IUPAC Name | N-[4-(aminomethyl)phenyl]-4-butylcyclohexane-1-carboxamide |
| InChI | InChI=1S/C18H28N2O/c1-2-3-4-14-5-9-16(10-6-14)18(21)20-17-11-7-15(13-19)8-12-17/h7-8,11-12,14,16H,2-6,9-10,13,19H2,1H3,(H,20,21) |
| InChI Key | DHULKCMALPIPFH-UHFFFAOYSA-N |
| MDL Number | MFCD13563484 |
| Molecular Formula | C18H28N2O |
| Molecular Weight | 288.4277 |
| SMILES | CCCCC1CCC(C(NC2=CC=C(CN)C=C2)=O)CC1 |
| Synonyms | N-[4-(aminomethyl)phenyl]-4-butylcyclohexane-1-carboxamide,
1019400-32-8,
AC1Q2VLL,
ZINC19803376,
AKOS000198977,
MCULE-8176576026,
NE42483,
EN300-65986,
Z234896541,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.22g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.435g/mol |
| Monoisotopic Mass | 288.22g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number