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Molecule
Methanone, 2-Furanyl-1-Piperazinyl-, Hydrochloride (1:1)
CAS: 60548-09-6 · C9H13ClN2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 60548-09-6
- Molecular Formula
- C9H13ClN2O2
- Molecular Mass
- 216.67 g/mol
Identifiers
CAS Registry Number
60548-09-6
SMILES
Cl.O=C(c1ccco1)N1CCNCC1
InChI Key
FMFUHCXDFVDINI-UHFFFAOYSA-N
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
Names and Synonyms
- Methanone, 2-Furanyl-1-Piperazinyl-, Hydrochloride (1:1) Synonym
- Methanone, 2-furanyl-1-piperazinyl-, hydrochloride (1:1) Synonym
- Piperazine, 1-(2-furanylcarbonyl)-, monohydrochloride Synonym
- 1-(2-Furoyl)piperazine monohydrochloride Synonym
- 1-(2-Furoyl)piperazine hydrochloride Synonym
- 1-(2-Furanylcarbonyl)piperazine hydrochloride Synonym
- 1-(Furan-2-carbonyl)piperazine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.67 g/mol | CAS Common Chemistry |
| 216.66799999999995 g/mol | RDKit | |
| 216.668 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 |
| 45.48 Ų | RDKit | |
| LogP | 0.7467999999999999 | RDKit |
| 0.7468 | RDKit | |
| Molar Refractivity | 54.72920000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4444 | RDKit |
| Exact Mass | 216.066555336 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 216.67 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13ClN2O2.
