Back to Search
Molecule
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
Identifiers
CAS Registry Number
4795-29-3
SMILES
NCC1CCCO1
InChI Key
YNOGYQAEJGADFJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2
Names and Synonyms
- Tetrahydrofurfurylamine Synonym
- 2-Furanmethanamine, tetrahydro- Synonym
- Furfurylamine, tetrahydro- Synonym
- Tetrahydro-2-furanmethanamine Synonym
- Tetrahydrofurfurylamine Synonym
- 2-(Aminomethyl)tetrahydrofuran Synonym
- 2-Tetrahydrofurfurylamine Synonym
- (Tetrahydrofuran-2-ylmethyl)amine Synonym
- (±)-Tetrahydrofurfurylamine Synonym
- 2-Tetrahydrofuranmethanamine Synonym
- (RS)-(2-Tetrahydrofuryl)methylamine Synonym
- (RS)-2-Tetrahydrofurfurylamine Synonym
- C-(Tetrahydrofuran-2-yl)methylamine Synonym
- (2-Tetrahydrofurylmethyl)amine Synonym
- NSC 76037 Synonym
- 1-(Tetrahydrofuran-2-yl)methanamine Synonym
- (Tetrahydrofuran-2-yl)methanamine Synonym
- N-[(Oxolan-2-yl)methyl]amine Synonym
- Tetrahydrofuran-2-methylamine Synonym
- Oxolan-2-ylmethylamine Synonym
- (Oxolan-2-yl)methanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.15 g/mol | CAS Common Chemistry |
| 101.149 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9792 g/cm3 @ 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 |
| 0.1241 | RDKit | |
| Molar Refractivity | 28.02839999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 101.084063972 g/mol | RDKit |
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 = 101.15 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11NO.
