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2(3H)-Furanone, 3-Aminodihydro-, Hydrochloride (1:1), (3S)-
CAS: 2185-03-7 | C4H8ClNO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
2185-03-7
Molecular Formula:
C4H8ClNO2
Molecular Mass:
137.57 g/mol
Names and Synonyms:
2(3H)-Furanone, 3-Aminodihydro-, Hydrochloride (1:1), (3S)-
2(3H)-Furanone, 3-aminodihydro-, hydrochloride (1:1), (3S)-
2(3H)-Furanone, 3-aminodihydro-, hydrochloride, (S)-
2(3H)-Furanone, 3-aminodihydro-, hydrochloride, (3S)-
L-Homoserine lactone hydrochloride
(S)-Homoserine lactone hydrochloride
(3S)-3-Aminodihydro-2(3H)-furanone hydrochloride
(S)-3-Aminodihydrofuran-2(3H)-one hydrochloride
Identifiers:
SMILES:
Cl.N[C@H]1CCOC1=O
InChI:
InChI=1S/C4H7NO2.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m0./s1
Key Properties
Melting Point
219 °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 | 137.57 g/mol | CAS Common Chemistry |
| 137.566 g/mol | RDKit | |
| 137.024356176 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C1OCCC1N | CAS Common Chemistry |
| InChI | InChI=1S/C4H7NO2.ClH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H/t3-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XBKCXPRYTLOQKS-DFWYDOINSA-N | CAS Common Chemistry |
| Melting Point | 219 °C | CAS Common Chemistry |
| Name | 2(3H)-Furanone, 3-aminodihydro-, hydrochloride (1:1), (3S)- | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.32 Ų | RDKit |
| LogP | -0.3176000000000001 | RDKit |
| Molar Refractivity | 30.7994 | RDKit |
