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| CAS No.: | 51887-89-9 |
|---|---|
| Name: | 3-CHLORO-L-ALANINE HYDROCHLORIDE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C3H7Cl2NO2 |
| Molecular Weight: | 160 |
| Synonyms: | L-Alanine,3-chloro-, hydrochloride (9CI);3-Chloro-L-alanine hydrochloride;L-b-Chloroalanine hydrochloride;NSC 16554;b-Chloro-L-alanine hydrochloride; |
| EINECS: | 200-528-9 |
| Density: | 1.401 g/cm3 |
| Melting Point: | 205 °C |
| Boiling Point: | 243.6 °C at 760 mmHg |
| Flash Point: | 101.1 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 63.32000 |
| LogP: | 1.13940 |
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- Total:38 Page 1 of 1 1
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Specification
The L-Alanine,3-chloro-, hydrochloride (1:1), with the CAS registry number 51887-89-9, is also known as 3-Chloro-L-alanine Hydrochloride. It belongs to the product categories of Carboxylic Acids (Chiral); Chiral Building Blocks; Synthetic Organic Chemistry; A; AA to AL Certified Reference Materials (CRMs); Alphabetic; Application CRMs; Clinical Chemistry CRM; Alanine Aminotransferase; Alanine Aminotransferase Peptides for Cell Biology; A to; Enzyme Inhibitors; Enzyme Inhibitors by Enzyme. This chemical's molecular formula is C3H7Cl2NO2 and molecular weight is 160. What's more, its IUPAC name is called 2-Amino-3-chloropropanoic acid hydrochloride. It should be kept sealing at -20 °C.
Physical properties about L-Alanine,3-chloro-, hydrochloride (1:1) are: (1) ACD/LogP: -0.13; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 3; (8) #H bond donors: 3; (9) #Freely Rotating Bonds: 3; (10) Polar Surface Area: 26.3 Å2; (11) Flash Point: 101.1 °C; (12) Enthalpy of Vaporization: 52.93 kJ/mol; (13) Boiling Point: 243.6 °C at 760 mmHg; (14) Vapour Pressure: 0.0105 mmHg at 25 °C; (15) Melting Point: 205 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].ClC[C@@H](C(=O)O)[NH3+]
(2) InChI: InChI=1/C3H6ClNO2.ClH/c4-1-2(5)3(6)7;/h2H,1,5H2,(H,6,7);1H/t2-;/m0./s1
(3) InChIKey: IENJPSDBNBGIEL-DKWTVANSBC