| CAS Number | 893576-42-6 |
| Catalog Number | AG01AAAY |
| Chemical Name | N-[(2-methoxynaphthalen-1-yl)methyl]cyclopentanamine |
| IUPAC Name | N-[(2-methoxynaphthalen-1-yl)methyl]cyclopentanamine |
| InChI | InChI=1S/C17H21NO/c1-19-17-11-10-13-6-2-5-9-15(13)16(17)12-18-14-7-3-4-8-14/h2,5-6,9-11,14,18H,3-4,7-8,12H2,1H3 |
| InChI Key | CCCYAJFXIRKIRB-UHFFFAOYSA-N |
| MDL Number | MFCD07405701 |
| Molecular Formula | C17H21NO |
| Molecular Weight | 255.3547 |
| SMILES | COC1=C(CNC2CCCC2)C2=C(C=CC=C2)C=C1 |
| Synonyms | N-[(2-methoxynaphthalen-1-yl)methyl]cyclopentanamine,
893576-42-6,
AC1NFQVT,
AC1Q45JG,
ZINC8210220,
STK154641,
AKOS002614277,
MCULE-4507454093,
NE19548,
EN300-67668,
Z86136983,
CID4687870,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.361g/mol |
| Monoisotopic Mass | 255.162g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number