| CAS Number | 940364-17-0 |
| Catalog Number | AG01AAC3 |
| Chemical Name | N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopentanamine |
| IUPAC Name | N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopentanamine |
| InChI | InChI=1S/C14H19NO2/c1-2-4-12(3-1)15-10-11-5-6-13-14(9-11)17-8-7-16-13/h5-6,9,12,15H,1-4,7-8,10H2 |
| InChI Key | LXWUEJKMTADWQB-UHFFFAOYSA-N |
| MDL Number | MFCD01135592 |
| Molecular Formula | C14H19NO2 |
| Molecular Weight | 233.3062 |
| SMILES | C(C1=CC2=C(OCCO2)C=C1)NC1CCCC1 |
| Synonyms | N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopentanamine,
940364-17-0,
AC1Q291A,
ZINC20085929,
AKOS002623502,
MCULE-3211661930,
NE47250,
EN300-68183,
Z86136959,
N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopentanamine,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.311g/mol |
| Monoisotopic Mass | 233.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number