Back to Search
Molecule
L-Serinamide Hydrochloride
CAS: 65414-74-6 · C3H9ClN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 65414-74-6
- Molecular Formula
- C3H9ClN2O2
- Molecular Mass
- 140.57 g/mol
Identifiers
CAS Registry Number
65414-74-6
SMILES
Cl.N=C(O)[C@@H](N)CO
InChI Key
VURWDDZIWBGXCK-DKWTVANSSA-N
InChI
InChI=1S/C3H8N2O2.ClH/c4-2(1-6)3(5)7;/h2,6H,1,4H2,(H2,5,7);1H/t2-;/m0./s1
Names and Synonyms
- L-Serinamide Hydrochloride Synonym
- Propanamide, 2-amino-3-hydroxy-, hydrochloride (1:1), (2S)- Synonym
- Propanamide, 2-amino-3-hydroxy-, monohydrochloride, (S)- Synonym
- L-Serinamide hydrochloride Synonym
- Propanamide, 2-amino-3-hydroxy-, monohydrochloride, (2S)- Synonym
- L-Serine amide hydrochloride Synonym
- (S)-2-Amino-3-hydroxypropanamide hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 140.57 g/mol | CAS Common Chemistry |
| 140.57000000000002 g/mol | RDKit | |
| 140.567 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(N)C(N)CO | CAS Common Chemistry |
| InChI | InChI=1S/C3H8N2O2.ClH/c4-2(1-6)3(5)7;/h2,6H,1,4H2,(H2,5,7);1H/t2-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VURWDDZIWBGXCK-DKWTVANSSA-N | CAS Common Chemistry |
| Melting Point | 187-188 °C | CAS Common Chemistry |
| Name | L-Serinamide hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 90.33 Ų | RDKit |
| LogP | -0.7369300000000003 | RDKit |
| -0.7369 | RDKit | |
| Molar Refractivity | 32.664699999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 140.035255208 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 = 140.57 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H9ClN2O2.
