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(Tetrahydrofuran-3-Yl)Methanamine
CAS: 165253-31-6 | C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
165253-31-6
Molecular Formula:
C5H11NO
Molecular Weight:
101.149 g/mol
Names and Synonyms:
(Tetrahydrofuran-3-Yl)Methanamine
1-(Oxolan-3-yl)methanamine
(Oxolan-3-yl)methanamine
Oxolan-3-ylmethylamine
[(Tetrahydrofuran-3-yl)methyl]amine
(Tetrahydrofuran-3-yl)methanamine
1-(Tetrahydrofuran-3-yl)methanamine
3-Aminomethyltetrahydrofuran
N-(3-Tetrahydrofurylmethyl)amine
Tetrahydro-3-furanmethanamine
3-Furanmethanamine, tetrahydro-
Identifiers:
SMILES:
NCC1CCOC1
InChI:
InChI=1S/C5H11NO/c6-3-5-1-2-7-4-5/h5H,1-4,6H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 101.149 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 101.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.25 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.018399999999999972 | RDKit |
| molecular_mass | 101.15 g/mol | Legacy Database |
| cas-canonical-smile | O1CCC(C1)CN None | Legacy Database |
| cas-inchi | InChI=1S/C5H11NO/c6-3-5-1-2-7-4-5/h5H,1-4,6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=CINJIXGRSTYIHP-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (Tetrahydrofuran-3-yl)methanamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.980399999999992 | RDKit |
