| CAS Number | 1152881-01-0 |
| Catalog Number | AG019TP4 |
| Chemical Name | N-[(5-Phenylthiophen-2-yl)methyl]cyclohexanamine |
| IUPAC Name | N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine |
| InChI | InChI=1S/C17H21NS/c1-3-7-14(8-4-1)17-12-11-16(19-17)13-18-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15,18H,2,5-6,9-10,13H2 |
| InChI Key | XYZXNFHTCDYOAE-UHFFFAOYSA-N |
| MDL Number | MFCD12494688 |
| Molecular Formula | C17H21NS |
| Molecular Weight | 271.4203 |
| SMILES | C(C1SC(C2=CC=CC=C2)=CC=1)NC1CCCCC1 |
| Synonyms | N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine,
1152881-01-0,
ZINC34994509,
AKOS005767221,
MCULE-6422140720,
NE40449,
Z90503769,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.422g/mol |
| Monoisotopic Mass | 271.139g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number