Back to Search
Methanone, 2-Furanyl-1-Piperazinyl-, Hydrochloride (1:1)
CAS: 60548-09-6 | C9H13ClN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60548-09-6
Molecular Formula:
C9H13ClN2O2
Molecular Mass:
216.67 g/mol
Names and Synonyms:
Methanone, 2-Furanyl-1-Piperazinyl-, Hydrochloride (1:1)
Methanone, 2-furanyl-1-piperazinyl-, hydrochloride (1:1)
Piperazine, 1-(2-furanylcarbonyl)-, monohydrochloride
1-(2-Furoyl)piperazine monohydrochloride
1-(2-Furoyl)piperazine hydrochloride
1-(2-Furanylcarbonyl)piperazine hydrochloride
1-(Furan-2-carbonyl)piperazine hydrochloride
Identifiers:
SMILES:
Cl.O=C(c1ccco1)N1CCNCC1
InChI:
InChI=1S/C9H12N2O2.ClH/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11;/h1-2,7,10H,3-6H2;1H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.67 g/mol | CAS Common Chemistry |
| 216.66799999999995 g/mol | RDKit | |
| 216.066555336 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(C=1OC=CC1)N2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H12N2O2.ClH/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11;/h1-2,7,10H,3-6H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=FMFUHCXDFVDINI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methanone, 2-furanyl-1-piperazinyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 45.480000000000004 Ų | RDKit |
| LogP | 0.7467999999999999 | RDKit |
| Molar Refractivity | 54.72920000000003 | RDKit |
