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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
Names and Synonyms:
L-Serinamide Hydrochloride
Propanamide, 2-amino-3-hydroxy-, hydrochloride (1:1), (2S)-
Propanamide, 2-amino-3-hydroxy-, monohydrochloride, (S)-
L-Serinamide hydrochloride
Propanamide, 2-amino-3-hydroxy-, monohydrochloride, (2S)-
L-Serine amide hydrochloride
(S)-2-Amino-3-hydroxypropanamide hydrochloride
Identifiers:
SMILES:
Cl.N=C(O)[C@@H](N)CO
InChI:
InChI=1S/C3H8N2O2.ClH/c4-2(1-6)3(5)7;/h2,6H,1,4H2,(H2,5,7);1H/t2-;/m0./s1
Key Properties
Melting Point
187-188 °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 | 140.57 g/mol | CAS Common Chemistry |
| 140.57000000000002 g/mol | RDKit | |
| 140.035255208 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 32.664699999999996 | RDKit |
