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| CAS No.: | 58471-53-7 |
|---|---|
| Name: | H-ASP-ASP-OH |
| Molecular Structure: | |
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| Formula: | C8H12N2O7 |
| Molecular Weight: | 248.192 |
| Synonyms: | L-Asparticacid, N-L-a-aspartyl- (6CI);α-Aspartylaspartic acid;Aspartyl-aspartic Acid;2-[(2-Amino-4-hydroxy-4-oxobutanoyl)amino]butanedioic acid;NSC332639;AC1L7C90;CID332965; |
| Density: | 1.602 g/cm3 |
| Boiling Point: | 587.7 °C at 760 mmHg |
| Flash Point: | 309.2 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 167.02000 |
| LogP: | -1.07630 |
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Specification
The L-Aspartic acid, L-a-aspartyl- with CAS registry number of 58471-53-7 is also known as α-Aspartylaspartic acid. The IUPAC name is 2-[(2-Amino-3-carboxypropanoyl)amino]butanedioic acid. It belongs to product categories of Amino Acid Derivatives; Dipeptides; Dipeptides and Tripeptides; Peptides. In addition, the formula is C8H12N2O7 and the molecular weight is 248.19.
Physical properties about L-Aspartic acid, L-a-aspartyl- are: (1)ACD/LogP: -1.02; (2)# of Rule of 5 Violations: 1; (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: 9; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 8; (10)Index of Refraction: 1.571; (11)Molar Refractivity: 50.88 cm3; (12)Molar Volume: 154.8 cm3; (13)Surface Tension: 86.8 dyne/cm; (14)Density: 1.602 g/cm3; (15)Flash Point: 309.2 °C; (16)Enthalpy of Vaporization: 95.85 kJ/mol; (17)Boiling Point: 587.7 °C at 760 mmHg; (18)Vapour Pressure: 2.47E-15 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(C(C(=O)NC(CC(=O)O)C(=O)O)N)C(=O)O
2. InChI: InChI=1S/C8H12N2O7/c9-3(1-5(11)12)7(15)10-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H,10,15)(H,11,12)(H,13,14)(H,16,17)
3. InChIKey: FRYULLIZUDQONW-UHFFFAOYSA-N