L-Aspartic acid, L-a-aspartyl- supplier

Name
H-ASP-ASP-OH
EINECS
CAS No. 58471-53-7
Article Data6
CAS DataBase
Density 1.602 g/cm³
Solubility
Melting Point
Formula C₈H₁₂N₂O₇
Boiling Point 587.7 °C at 760 mmHg
Molecular Weight 248.192
Flash Point 309.2 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 167.02000
LogP -1.07630

L-Aspartic acid, L-a-aspartyl- 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

Product Name

H-ASP-ASP-OH

L-Aspartic acid, L-a-aspartyl- Specification

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