Back to Search
Molecule
Α-(Aminomethyl)-2-Furanmethanol
CAS: 2745-22-4 · C6H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2745-22-4
- Molecular Formula
- C6H9NO2
- Molecular Mass
- 127.14 g/mol
Identifiers
CAS Registry Number
2745-22-4
SMILES
NCC(O)c1ccco1
InChI Key
JWQAFPHYLSGNSK-UHFFFAOYSA-N
InChI
InChI=1S/C6H9NO2/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4,7H2
Names and Synonyms
- Α-(Aminomethyl)-2-Furanmethanol Common Name
- 2-Furanmethanol, α-(aminomethyl)- Synonym
- Furfuryl alcohol, α-(aminomethyl)- Synonym
- α-(Aminomethyl)-2-furanmethanol Synonym
- 2-Amino-1-(2-furyl)ethanol Synonym
- 2-Amino-1-(furan-2-yl)ethan-1-ol Synonym
- 2-(1-Hydroxy-2-aminoethyl)-furan Synonym
- 2-Amino-1-(furan-2-yl)ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 127.14 g/mol | CAS Common Chemistry |
| 127.14299999999997 g/mol | RDKit | |
| 127.143 g/mol | RDKit | |
| Canonical SMILES | OC(C=1OC=CC1)CN | CAS Common Chemistry |
| InChI | InChI=1S/C6H9NO2/c7-4-5(8)6-2-1-3-9-6/h1-3,5,8H,4,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JWQAFPHYLSGNSK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 87 °C @ Solvent: Acetonitrile | CAS Common Chemistry |
| Name | α-(Aminomethyl)-2-furanmethanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 59.39 Ų | RDKit |
| LogP | 0.2717 | RDKit |
| Molar Refractivity | 32.7222 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| Exact Mass | 127.063328528 g/mol | RDKit |
| Boiling Point | 108 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 127.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H9NO2.
Ethyl 2-Cyanopropanoate
CAS 1572-99-2
4-Isoxazolemethanol, 3,5-dimethyl-
CAS 19788-36-4
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, (1S,2S,5R)-
CAS 22255-16-9
Oxazole, 5-ethoxy-4-methyl-
CAS 5006-20-2
1-Methylethyl 2-Cyanoacetate
CAS 13361-30-3
(1R,4S)-4-Aminocyclopent-2-Ene-1-Carboxylic Acid
CAS 134003-04-6
