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Molecule
Alanine
CAS: 56-41-7 · C3H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 56-41-7
- Molecular Formula
- C3H7NO2
- Molecular Mass
- 89.09 g/mol
Identifiers
CAS Registry Number
56-41-7
SMILES
C[C@H](N)C(=O)O
InChI Key
QNAYBMKLOCPYGJ-REOHCLBHSA-N
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
Names and Synonyms
- Alanine Synonym
- L-Alanine Synonym
- Alanine, L- Synonym
- L-α-Alanine Synonym
- L-2-Aminopropanoic acid Synonym
- L-α-Aminopropionic acid Synonym
- α-Alanine Synonym
- (S)-Alanine Synonym
- L-(+)-Alanine Synonym
- Alanine Synonym
- Propanoic acid, 2-amino-, (S)- Synonym
- L-2-Aminopropionic acid Synonym
- α-Aminopropionic acid Synonym
- (S)-2-Aminopropanoic acid Synonym
- (S)-(+)-Alanine Synonym
- NSC 206315 Synonym
- (2S)-2-Aminopropanoic acid Synonym
- Lactamine Synonym
- 2-Aminopropionic acid Synonym
- (2S)-2-Aminopropanoic acid Synonym
- (2S)-2-Azaniumylpropanoate Synonym
- 8: PN: WO2021055880 SEQID: 9 claimed protein Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.09 g/mol | CAS Common Chemistry |
| 89.09399999999998 g/mol | RDKit | |
| 89.094 g/mol | RDKit | |
| Density | 1.43 g/cm³ | CAS Common Chemistry |
| 1.432 g/cm3 @ 22 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Alanine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QNAYBMKLOCPYGJ-REOHCLBHSA-N | CAS Common Chemistry |
| Melting Point | 300 °C (decomp) | CAS Common Chemistry |
| Name | L-Alanine | CAS Common Chemistry |
| Alanine | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| 63.32 Ų | RDKit | |
| LogP | -0.5817999999999999 | RDKit |
| -0.5818 | RDKit | |
| Molar Refractivity | 21.285200000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 89.047678464 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
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MW = 89.09 g/mol; density = 1.430 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7NO2.
