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| CAS No.: | 65427-54-5 |
|---|---|
| Name: | DL-2,4-DIAMINOBUTYRIC ACID DIHYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C4H12Cl2N2O2 |
| Molecular Weight: | 191.057 |
| Synonyms: | Butanoicacid, 2,4-diamino-, dihydrochloride (9CI);Butanoic acid, 2,4-diamino-,dihydrochloride, (?à)-;DL-2,4-Diaminobutyric aciddihydrochloride;NSC 41117;dl-2,4-Diaminobutyric acid dihydrochloride;DL-Dab.2HCl; |
| EINECS: | 265-774-6 |
| Melting Point: | 197 °C |
| Boiling Point: | 321 °C at 760 mmHg |
| Flash Point: | 147.9 °C |
| Solubility: | H2O: 50 mg/mL, clear |
| Appearance: | colorless crystals |
| Hazard Symbols: |
 C
|
| Risk Codes: | 36/37/38-34 |
| Safety: | 24/25-45-36/37/39-26 |
| Transport Information: | UN 3261 |
| PSA: | 89.34000 |
| LogP: | 1.75170 |
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Specification
The IUPAC name of DL-2,4-Diaminobutyric acid dihydrochloride is 2,4-diaminobutanoic acid dihydrochloride. With the CAS registry number 65427-54-5, it is also named as Butanoic acid, 2,4-diamino-, dihydrochloride. The product's categories are amino acids, aliphatics, carboxylic acids, unusual amino acids, amino hydrochloride, carboxylic acids, A-H, amino acids, modified amino acids and so on, and its other registry number is 6970-28-1. In addition, its molecular formula is C4H12Cl2N2O2 and its molecular weight is 191.06. Besides, it is colorless crystals and hygroscopic, which should be stored in sealed containers and placed in cool and dry place away from oxidizing agents.
The other characteristics of DL-2,4-Diaminobutyric acid dihydrochloride can be summarized as: (1)EINECS: 265-774-6; (2)ACD/LogP: -1.44; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): -4.93; (5)ACD/LogD (pH 7.4): -4.58; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 4; (11)H bond donors: 5; (12)Freely Rotating Bonds: 5; (13)Polar Surface Area: 32.78 Å2; (14)Flash Point: 147.9 °C; (15)Melting Point: 197 °C; (16)Enthalpy of Vaporization: 61.87 kJ/mol; (17)Boiling Point: 321 °C at 760 mmHg; (18)Vapour Pressure: 6.36E-05 mmHg at 25 °C; (19)solubility: H2O: 50 mg/mL, clear.
When you are using this chemical, please be cautious about it as the following: DL-2,4-Diaminobutyric acid dihydrochloride is irritating to eyes, respiratory system and skin and may cause burns. When use it, please avoid contact with skin and eyes, and wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES:Cl.Cl.O=C(O)C(N)CCN
(2)InChI:InChI=1/C4H10N2O2.2ClH/c5-2-1-3(6)4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H
(3)InChIKey:CKAAWCHIBBNLOJ-UHFFFAOYAT
(4)Std. InChI:InChI=1S/C4H10N2O2.2ClH/c5-2-1-3(6)4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H
(5)Std. InChIKey:CKAAWCHIBBNLOJ-UHFFFAOYSA-N