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2-Furanmethanol, 5-[(Dimethylamino)Methyl]-, Hydrochloride (1:1)
CAS: 81074-81-9 | C8H14ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
81074-81-9
Molecular Formula:
C8H14ClNO2
Molecular Mass:
191.66 g/mol
Names and Synonyms:
2-Furanmethanol, 5-[(Dimethylamino)Methyl]-, Hydrochloride (1:1)
2-Furanmethanol, 5-[(dimethylamino)methyl]-, hydrochloride (1:1)
2-Furanmethanol, 5-[(dimethylamino)methyl]-, hydrochloride
5-(Dimethylaminomethyl)-2-furanmethanol hydrochloride
5-(Dimethylaminomethyl)furfuryl alcohol hydrochloride
[5-[(Dimethylamino)methyl]furan-2-yl]methanol hydrochloride
Identifiers:
SMILES:
CN(C)Cc1ccc(CO)o1.Cl
InChI:
InChI=1S/C8H13NO2.ClH/c1-9(2)5-7-3-4-8(6-10)11-7;/h3-4,10H,5-6H2,1-2H3;1H
Key Properties
Melting Point
120-121 °C
CAS Common Chemistry
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 | 191.66 g/mol | CAS Common Chemistry |
| 191.658 g/mol | RDKit | |
| 191.071306368 g/mol | RDKit | |
| Canonical SMILES | Cl.OCC=1OC(=CC1)CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H13NO2.ClH/c1-9(2)5-7-3-4-8(6-10)11-7;/h3-4,10H,5-6H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=UDLQUVLALYCAMJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120-121 °C | CAS Common Chemistry |
| Name | 2-Furanmethanol, 5-[(dimethylamino)methyl]-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 36.61 Ų | RDKit |
| LogP | 1.2553 | RDKit |
| Molar Refractivity | 49.26980000000003 | RDKit |
