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L-Alaninamide Hydrochloride
CAS: 33208-99-0 | C3H9ClN2O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
33208-99-0
Molecular Formula:
C3H9ClN2O
Molecular Mass:
124.57 g/mol
Names and Synonyms:
L-Alaninamide Hydrochloride
Propanamide, 2-amino-, hydrochloride (1:1), (2S)-
Propanamide, 2-amino-, monohydrochloride, (S)-
Alaninamide, monohydrochloride, L-
Propanamide, 2-amino-, monohydrochloride, (2S)-
L-Alanine amide hydrochloride
L-Alaninamide hydrochloride
Alanine amide hydrochloride
(S)-2-Aminopropionamide hydrochloride
(2S)-2-Aminopropanamide hydrochloride
(2S)-2-Aminopropanamide hydrochloride
(S)-2-Aminopropanamide hydrochloride
(S)-Alaninamide hydrochloride
Identifiers:
SMILES:
C[C@H](N)C(=N)O.Cl
InChI:
InChI=1S/C3H8N2O.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H2,5,6);1H/t2-;/m0./s1
Key Properties
Melting Point
196-199 °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 | 124.57 g/mol | CAS Common Chemistry |
| 124.57099999999998 g/mol | RDKit | |
| 124.04034058799999 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(N)C(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H8N2O.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H2,5,6);1H/t2-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FIAINKIUSZGVGX-DKWTVANSSA-N | CAS Common Chemistry |
| Melting Point | 196-199 °C | CAS Common Chemistry |
| Name | L-Alaninamide hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 70.10000000000001 Ų | RDKit |
| LogP | 0.2906700000000004 | RDKit |
| Molar Refractivity | 31.252899999999997 | RDKit |
