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| CAS No.: | 15159-65-6 |
|---|---|
| Name: | L(+)-2-Amino-4-bromobutyric acid hydrobromide |
| Molecular Structure: | |
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| Formula: | C4H9Br2NO2 |
| Molecular Weight: | 262.929 |
| Synonyms: | Butanoicacid, 2-amino-4-bromo-, hydrobromide, (2S)- (9CI);Butanoic acid,2-amino-4-bromo-, hydrobromide, (S)-;Butyric acid, 2-amino-4-bromo-,hydrobromide, L- (8CI); |
| EINECS: | 626-083-9 |
| Density: | 1.71g/cm3 |
| Melting Point: | 189 °C (dec.)(lit.) |
| Boiling Point: | 294.5 °C at 760 mmHg |
| Flash Point: | 131.9 °C |
| Appearance: | white to light beige powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 63.32000 |
| LogP: | 1.84170 |
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Specification
This chemical is called Butanoic acid, 2-amino-4-bromo-, hydrobromide (1:1), (2S)-, and its CAS registry number is 15159-65-6. With the molecular formula of C4H9Br2NO2, its molecular weight is 262.93. Additionally, its product categories are Carboxylic Acids; Chiral Building Blocks; Organic Building Blocks.
Other characteristics of the Butanoic acid, 2-amino-4-bromo-, hydrobromide (1:1), (2S)- can be summarised as followings: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.05; (4)ACD/LogD (pH 7.4): -2.06; (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): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Flash Point: 131.9 °C; (14)Enthalpy of Vaporization: 58.76 kJ/mol; (15)Boiling Point: 294.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000395 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Br.BrCC[C@H](N)C(=O)O
2.InChI: InChI=1/C4H8BrNO2.BrH/c5-2-1-3(6)4(7)8;/h3H,1-2,6H2,(H,7,8);1H/t3-;/m0./s1
3.InChIKey: JDLMXICGDYZOJH-DFWYDOINBC