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Tetrahydrofurfurylamine
CAS: 4795-29-3 | C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4795-29-3
Molecular Formula:
C5H11NO
Molecular Mass:
101.15 g/mol
Names and Synonyms:
Tetrahydrofurfurylamine
2-Furanmethanamine, tetrahydro-
Furfurylamine, tetrahydro-
Tetrahydro-2-furanmethanamine
Tetrahydrofurfurylamine
2-(Aminomethyl)tetrahydrofuran
2-Tetrahydrofurfurylamine
(Tetrahydrofuran-2-ylmethyl)amine
(±)-Tetrahydrofurfurylamine
2-Tetrahydrofuranmethanamine
(RS)-(2-Tetrahydrofuryl)methylamine
(RS)-2-Tetrahydrofurfurylamine
C-(Tetrahydrofuran-2-yl)methylamine
(2-Tetrahydrofurylmethyl)amine
NSC 76037
1-(Tetrahydrofuran-2-yl)methanamine
(Tetrahydrofuran-2-yl)methanamine
N-[(Oxolan-2-yl)methyl]amine
Tetrahydrofuran-2-methylamine
Oxolan-2-ylmethylamine
(Oxolan-2-yl)methanamine
Identifiers:
SMILES:
NCC1CCCO1
InChI:
InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2
Key Properties
Boiling Point
153 °C
CAS Common Chemistry
Melting Point
108-109 °C
CAS Common Chemistry
Density
0.98 g/cm³
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 | 101.15 g/mol | CAS Common Chemistry |
| 101.149 g/mol | RDKit | |
| 101.084063972 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9792 g/cm3 @ Temp: 17 °C | CAS Common Chemistry | |
| Boiling Point | 153 °C | CAS Common Chemistry |
| Canonical SMILES | O1CCCC1CN | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YNOGYQAEJGADFJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 108-109 °C | CAS Common Chemistry |
| Name | Tetrahydrofurfurylamine | 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 | 0 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 0.12409999999999966 | RDKit |
| Molar Refractivity | 28.02839999999999 | RDKit |
