Back to Search
Molecule
(3S)-Tetrahydro-3-Furanmethanamine
CAS: 1048962-84-0 · C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1048962-84-0
- Molecular Formula
- C5H11NO
- Molecular Mass
- 101.15 g/mol
Identifiers
CAS Registry Number
1048962-84-0
SMILES
NC[C@@H]1CCOC1
InChI Key
CINJIXGRSTYIHP-YFKPBYRVSA-N
InChI
InChI=1S/C5H11NO/c6-3-5-1-2-7-4-5/h5H,1-4,6H2/t5-/m0/s1
Names and Synonyms
- (3S)-Tetrahydro-3-Furanmethanamine Common Name
- 3-Furanmethanamine, tetrahydro-, (3S)- Synonym
- (3S)-Tetrahydro-3-furanmethanamine Synonym
- (S)-(Tetrahydrofuran-3-yl)methanamine Synonym
- (S)-Tetrahydrofuran-3-ylmethylamine Synonym
- [(3S)Tetrahydrofuran-3-yl]methanamine Synonym
- [(3S)-Oxolan-3-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 | |
| Canonical SMILES | O1CCC(C1)CN | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO/c6-3-5-1-2-7-4-5/h5H,1-4,6H2/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CINJIXGRSTYIHP-YFKPBYRVSA-N | CAS Common Chemistry |
| Name | (3S)-Tetrahydro-3-furanmethanamine | 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 | -0.018399999999999972 | RDKit |
| -0.0184 | RDKit | |
| Molar Refractivity | 27.980399999999992 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. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11NO.
