L-Phenylalanine, L-a-aspartyl- supplier

Name
H-ASP-PHE-OH
EINECS 236-557-3
CAS No. 13433-09-5
Article Data12
CAS DataBase
Density 1.371 g/cm³
Solubility
Melting Point 236-239 °C(lit.)
Formula C₁₃H₁₆N₂O₅
Boiling Point 601.7 °C at 760 mmHg
Molecular Weight 280.28
Flash Point 317.7 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-L-a-Aspartyl-L-PhenylAlanine;
PSA 129.72000
LogP 0.69170

L-Phenylalanine, L-a-aspartyl- Specification

The L-Phenylalanine, L-a-aspartyl-, with the CAS registry number of 13433-09-5, is also known as N-L-a-Aspartyl-L-PhenylAlanine. Its EINECS registry number is 236-557-3. Its molecular formula is C₁₃H₁₆N₂O₅ and molecular weight is m280.28. What's more, its systematic name is L-a-Aspartyl-L-phenylalanine. It is the Metabolite of aspartame and may inhibit angiotensin converting enzyme. Besides, you should avoid contacting with skin and eyes.

Physical properties about the L-Phenylalanine, L-a-aspartyl- are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.64; (4) ACD/LogD (pH 7.4): -2.89; (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: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 76.15 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 69.17 cm³; (15)Molar Volume: 204.4 cm³; (16)Surface Tension: 66.2 dyne/cm; (17)Density: 1.371 g/cm³; (18)Flash Point: 317.7 °C; (19)Enthalpy of Vaporization: 94.15 kJ/mol; (20)Boiling Point: 601.7 °C at 760 mmHg; (21)Vapour Pressure: 2.51E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C[C@H](N)C(=O)N[C@H](C(=O)O)Cc1ccccc1
(2) InChI: InChI=1/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1
(3) InChIKey: YZQCXOFQZKCETR-UWVGGRQHBF

Product Name

H-ASP-PHE-OH

L-Phenylalanine, L-a-aspartyl- Specification

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