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CAS No.: | 6305-38-0 |
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Name: | ALPHA-AMINO-GAMMA-BUTYROLACTONE HYDROBROMIDE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C4H8BrNO2 |
Molecular Weight: | 182.017 |
Synonyms: | 2(3H)-Furanone,3-aminodihydro-, hydrobromide (9CI);2(3H)-Furanone, 3-aminodihydro-,hydrobromide, (?à)-;(?à)-3-Aminodihydro-2(3H)-furanonehydrobromide;2-Amino-4-butyrolactone hydrobromide;2-Aminobutyrolactonehydrobromide;3-Aminodihydro-2(3H)-furanone hydrobromide;DL-Homoserine lactonehydrobromide;Homoserine lactone hydrobromide;NSC 41120;a-Amino-g-butyrolactone hydrobromide; |
EINECS: | 228-614-6 |
Melting Point: | 220-225 °C(lit.) |
Boiling Point: | 257.1 °C at 760 mmHg |
Flash Point: | 120.1 °C |
Solubility: | almost transparency |
Appearance: | white to light beige crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 52.32000 |
LogP: | 0.91900 |
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The 2(3H)-Furanone,3-aminodihydro-, hydrobromide (1:1), with the CAS registry number 6305-38-0, is also known as DL-Homoserine lactone hydrobromide. Its EINECS registry number is 228-614-6. This chemical's molecular formula is C4H8BrNO2 and molecular weight is 182.02. Its IUPAC name is called 3-aminooxolan-2-one hydrobromide. This chemical is white to light beige crystalline powder.
Physical properties of 2(3H)-Furanone,3-aminodihydro-, hydrobromide (1:1): (1)ACD/LogP: -1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.09; (4)ACD/LogD (pH 7.4): -2.39; (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: 2; (11)#Freely Rotating Bonds: 1; (12)Flash Point: 120.1 °C; (13)Enthalpy of Vaporization: 49.46 kJ/mol; (14)Boiling Point: 257.1 °C at 760 mmHg; (15)Vapour Pressure: 0.0148 mmHg at 25°C.
Uses of 2(3H)-Furanone,3-aminodihydro-, hydrobromide (1:1): it can be used to produce N-benzylidene-DL-homoserine lactone at ambient temperature. This reaction will need reagent Et3N, MgSO4 and solvent CH2Cl2 with reaction time of 20 hours. The yield is about 88%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COC(=O)C1N.Br
(2)InChI: InChI=1S/C4H7NO2.BrH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H
(3)InChIKey: MKLNTBLOABOJFZ-UHFFFAOYSA-N