| CAS Number | 1157544-58-5 |
| Catalog Number | AG01AACQ |
| Chemical Name | N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclopentanamine |
| IUPAC Name | N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine |
| InChI | InChI=1S/C14H19NO/c1-2-4-13(3-1)15-10-11-5-6-14-12(9-11)7-8-16-14/h5-6,9,13,15H,1-4,7-8,10H2 |
| InChI Key | FCTZRKSFMSTWPO-UHFFFAOYSA-N |
| MDL Number | MFCD12065154 |
| Molecular Formula | C14H19NO |
| Molecular Weight | 217.3068 |
| SMILES | C(C1=CC2=C(OCC2)C=C1)NC1CCCC1 |
| Synonyms | N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine,
1157544-58-5,
N-((2,3-Dihydrobenzofuran-5-yl)methyl)cyclopentanamine,
SCHEMBL19888974,
AC1Q2919,
ZINC37362345,
AKOS008139104,
MCULE-2170588423,
NE21629,
EN300-68219,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.312g/mol |
| Monoisotopic Mass | 217.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number