Alanylglycine CAS NO.687-69-4

he Alanylglycine, with the CAS registry number 687-69-4, is also known as N-L-Alanylglycine. It belongs to the product category of Amino Acid Derivatives. Its EINECS number is 211-699-9. This chemical's molecular formula is C₅H₁₀N₂O₃ and formula weight is 146.14. What's more, its IUPAC name is 2-(2-aminopropanoylamino)acetic acid.

Physical properties of Alanylglycine are: (1)ACD/LogP: -1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 49.85 Å²; (11)Index of Refraction: 1.497; (12)Molar Refractivity: 33.89 cm³; (13)Molar Volume: 115.6 cm³; (14)Surface Tension: 53.1 dyne/cm; (15)Density: 1.263 g/cm³; (16)Flash Point: 206.2 °C; (17)Enthalpy of Vaporization: 73.58 kJ/mol; (18)Boiling Point: 417.4 °C at 760 mmHg; (19)Vapour Pressure: 3.9E-08 mmHg at 25°C.

Uses of Alanylglycine: it can be used to produce(S)-alanylglycine methyl ester hydrochloride. It will need reagent SO₂Cl₂. It's a reaction of oxidation. The yield is about 99%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(=O)NCC(=O)O)N
(2)InChI: InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)
(3)InChIKey: CXISPYVYMQWFLE-UHFFFAOYSA-N

he Alanylglycine, with the CAS registry number 687-69-4, is also known as N-L-Alanylglycine. It belongs to the product category of Amino Acid Derivatives. Its EINECS number is 211-699-9. This chemical's molecular formula is C₅H₁₀N₂O₃ and formula weight is 146.14. What's more, its IUPAC name is 2-(2-aminopropanoylamino)acetic acid.

Physical properties of Alanylglycine are: (1)ACD/LogP: -1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 49.85 Å²; (11)Index of Refraction: 1.497; (12)Molar Refractivity: 33.89 cm³; (13)Molar Volume: 115.6 cm³; (14)Surface Tension: 53.1 dyne/cm; (15)Density: 1.263 g/cm³; (16)Flash Point: 206.2 °C; (17)Enthalpy of Vaporization: 73.58 kJ/mol; (18)Boiling Point: 417.4 °C at 760 mmHg; (19)Vapour Pressure: 3.9E-08 mmHg at 25°C.

Uses of Alanylglycine: it can be used to produce(S)-alanylglycine methyl ester hydrochloride. It will need reagent SO₂Cl₂. It's a reaction of oxidation. The yield is about 99%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(=O)NCC(=O)O)N
(2)InChI: InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)
(3)InChIKey: CXISPYVYMQWFLE-UHFFFAOYSA-N