| CAS Number | 1158781-71-5 |
| Catalog Number | AG009KKG(AGN-PC-0WB7YM) |
| Chemical Name | N-(Benzo[d][1,3]dioxol-5-ylmethyl)cyclopentanamine hydrochloride |
| IUPAC Name | N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c1-2-4-11(3-1)14-8-10-5-6-12-13(7-10)16-9-15-12;/h5-7,11,14H,1-4,8-9H2;1H |
| InChI Key | HQABFZPCDXEXIU-UHFFFAOYSA-N |
| MDL Number | MFCD06799775 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | C12C=C(C=CC=1OCO2)CNC1CCCC1.Cl |
| Synonyms | 1158781-71-5,
BENZO[1,3]DIOXOL-5-YLMETHYL-CYCLOPENTYL-AMINE HYDROCHLORIDE,
N-(1,3-Benzodioxol-5-ylmethyl)cyclopentanamine hydrochloride,
N-(Benzo[d][1,3]dioxol-5-ylmethyl)cyclopentanamine hydrochloride,
CTK5J5781,
ZX-CM015776,
9660AC,
MFCD06799775,
AKOS015848689,
TR-041839,
C13H18ClNO2,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.742g/mol |
| Monoisotopic Mass | 255.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number