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| CAS No.: | 2491-20-5 |
|---|---|
| Name: | L-Alanine methyl ester hydrochloride |
| Article Data: | 130 |
| Molecular Structure: | |
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| Formula: | C4H9NO2.HCl |
| Molecular Weight: | 139.582 |
| Synonyms: | Alanine,methyl ester, hydrochloride, L- (6CI,7CI,8CI);L-Alanine, methyl ester,hydrochloride (9CI);(S)-2-Aminopropionic acid methyl ester hydrochloride;(S)-Alanine methyl ester hydrochloride;Alanine methyl ester hydrochloride;L-Alanine methyl ester hydrochloride salt;Methyl L-alaninate hydrochloride;Methyl alaninate hydrochloride;NSC 29729;H-Ala-OMe·HCl;L-Alanine,methyl ester, hydrochloride (1:1); |
| EINECS: | 219-652-4 |
| Melting Point: | 109-111 °C(lit.) |
| Boiling Point: | 101.5 °C at 760 mmHg |
| Solubility: | Soluble in Water (100 mg/ml). |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25-36-26 |
| PSA: | 52.32000 |
| LogP: | 1.00890 |
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Specification
The IUPAC name of H-Ala-OMe·HCl is methyl 2-aminopropanoate hydrochloride. With the CAS registry number 2491-20-5, it is also named as L-Alanine, methyl ester, hydrochloride. The product's categories are Amino Acids Derivatives; Amino Acids; Alanine [Ala, A]; Amino Acid Methyl Esters; Amino Acids (C-Protected); Biochemistry; Amino hydrochloride; Alanine; Peptide Synthesis. It is white crystalline powder which is hygroscopic and stable under normal temperature and pressure. In addition, this chemical can be used as biochemical reagent and pharmaceutical intermediate. Besides, it should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.78; (4)ACD/LogD (pH 7.4): -1.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.31; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Enthalpy of Vaporization: 34.08 kJ/mol; (13)Boiling Point: 101.5 °C at 760 mmHg; (14)Rotatable Bond Count: 2; (15)Exact Mass: 139.040006; (16)MonoIsotopic Mass: 139.040006; (17)Topological Polar Surface Area: 52.3; (18)Heavy Atom Count: 8; (19)Complexity: 72.1; (20)Vapour Pressure: 35 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.O=C(OC)[C@@H](N)C
2. InChI:InChI=1/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H/t3-;/m0./s1