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Molecule
L-Alaninamide Hydrochloride
CAS: 33208-99-0 · C3H9ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 33208-99-0
- Molecular Formula
- C3H9ClN2O
- Molecular Mass
- 124.57 g/mol
Identifiers
CAS Registry Number
33208-99-0
SMILES
C[C@H](N)C(=N)O.Cl
InChI Key
FIAINKIUSZGVGX-DKWTVANSSA-N
InChI
InChI=1S/C3H8N2O.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H2,5,6);1H/t2-;/m0./s1
Names and Synonyms
- L-Alaninamide Hydrochloride Common Name
- Propanamide, 2-amino-, hydrochloride (1:1), (2S)- Synonym
- Propanamide, 2-amino-, monohydrochloride, (S)- Synonym
- Alaninamide, monohydrochloride, L- Synonym
- Propanamide, 2-amino-, monohydrochloride, (2S)- Synonym
- L-Alanine amide hydrochloride Synonym
- L-Alaninamide hydrochloride Synonym
- Alanine amide hydrochloride Synonym
- (S)-2-Aminopropionamide hydrochloride Synonym
- (2S)-2-Aminopropanamide hydrochloride Synonym
- (2S)-2-Aminopropanamide hydrochloride Synonym
- (S)-2-Aminopropanamide hydrochloride Synonym
- (S)-Alaninamide hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.57 g/mol | CAS Common Chemistry |
| 124.57099999999998 g/mol | RDKit | |
| 124.571 g/mol | RDKit | |
| 124.568 g/mol | chempirical lib | |
| 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 |
| 70.1 Ų | RDKit | |
| LogP | 0.2906700000000004 | RDKit |
| 0.2907 | RDKit | |
| Molar Refractivity | 31.252899999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 124.04034058799999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 124.57 g/mol. Edit any field — others recompute live.
