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| CAS No.: | 541-48-0 |
|---|---|
| Name: | DL-3-AMINOBUTYRIC ACID |
| Molecular Structure: | |
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| Formula: | C4H9NO2 |
| Molecular Weight: | 103.121 |
| Synonyms: | Butyricacid, 3-amino- (8CI);Butyric acid, b-amino- (4CI);(RS)-3-Aminobutanoic acid;(?à)-3-Amino-n-butyric acid;(?à)-3-Aminobutanoic acid;(?à)-3-Aminobutyric acid;(?à)-b-Aminobutyric acid;3-Aminobutyric acid;3-Methyl-b-alanine;BABA;Carbocreatine;DL-3-Aminobutanoic acid;DL-3-Aminobutyricacid;DL-b-Aminobutyric acid;NSC 77380;b-Amino-n-butyric acid;b-Aminobutanoic acid;b-Aminobutyric acid;b-Methyl-b-alanine; |
| EINECS: | 208-783-2 |
| Density: | 1.105 g/cm3 |
| Melting Point: | 189°C (dec.)(lit.) |
| Boiling Point: | 223.6 °C at 760 mmHg |
| Flash Point: | 89 °C |
| Solubility: | soluble |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 63.32000 |
| LogP: | 0.50860 |
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Specification
This chemical is called Butanoic acid, 3-amino-, and its systematic name is 3-aminobutanoic acid. With the molecular formula of C4H9NO2, its molecular weight is 103.12. The CAS registry number of this chemical is 103.12. Additionally, its product category is Amino Acids.
Other characteristics of the Butanoic acid, 3-amino- can be summarised as followings: (1)ACD/LogP: -0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.01; (4)ACD/LogD (pH 7.4): -3.01; (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: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 25.63 cm3; (15)Molar Volume: 93.2 cm3; (16)Polarizability: 10.16×10-24cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.105 g/cm3; (19)Flash Point: 89 °C; (20)Enthalpy of Vaporization: 50.68 kJ/mol; (21)Boiling Point: 223.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0352 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: O=C(O)CC(N)C
2.InChI: InChI=1/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)
3.InChIKey: OQEBBZSWEGYTPG-UHFFFAOYAG