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Molecule
2-Furanmethanamine
CAS: 617-89-0 · C5H7NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 617-89-0
- Molecular Formula
- C5H7NO
- Molecular Mass
- 97.12 g/mol
Identifiers
CAS Registry Number
617-89-0
SMILES
NCc1ccco1
InChI Key
DDRPCXLAQZKBJP-UHFFFAOYSA-N
InChI
InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
Names and Synonyms
- 2-Furanmethanamine Synonym
- 2-Furanmethanamine Synonym
- Furfurylamine Synonym
- 2-Furanmethylamine Synonym
- 2-(Aminomethyl)furan Synonym
- 2-Furfurylamine Synonym
- α-Furfurylamine Synonym
- (2-Furylmethyl)amine Synonym
- (2-Furanylmethyl)amine Synonym
- 2-Furylmethanamine Synonym
- NSC 49136 Synonym
- NSC 61168 Synonym
- (Furan-2-yl)methanamine Synonym
- 1-(2-Furanyl)methanamine Synonym
- Furan-2-ylmethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 97.12 g/mol | CAS Common Chemistry |
| 97.11699999999998 g/mol | RDKit | |
| 97.117 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0533 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 145.5 °C | CAS Common Chemistry |
| Canonical SMILES | O1C=CC=C1CN | CAS Common Chemistry |
| InChI | InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DDRPCXLAQZKBJP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Furanmethanamine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 39.16 Ų | RDKit |
| LogP | 0.7383000000000001 | RDKit |
| 0.7383 | RDKit | |
| Molar Refractivity | 26.5994 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 97.052763844 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 97.12 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H7NO.
