CAS No.22888-49-9,3-(4-ACETYL-PHENYL)-2-AMINO-PROPIONIC ACID HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22888-49-9
Name:	3-(4-ACETYL-PHENYL)-2-AMINO-PROPIONIC ACID HYDROCHLORIDE
Article Data:	3

Formula:	C₁₁H₁₃NO₃
Molecular Weight:	207.229
Synonyms:	Alanine,3-(p-acetylphenyl)-, DL- (8CI);
Density:	1.226 g/cm³
Boiling Point:	396.7 °C at 760 mmHg
Flash Point:	193.7 °C
PSA:	80.39000
LogP:	1.54390

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Specification

The Phenylalanine,4-acetyl-, with the CAS registry number 22888-49-9, is also known as P-Acetylphenylalanine. This chemical's molecular formula is C₁₁H₁₃NO₃ and molecular weight is 207.2258. What's more, its systematic name is called 4-Acetylphenylalanine.

Physical properties about Phenylalanine,4-acetyl- are: (1) ACD/LogP: 0.56; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.94; (4) ACD/LogD (pH 7.4): -1.95; (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: 4; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 46.61 Å²; (13) Index of Refraction: 1.571; (14) Molar Refractivity: 55.52 cm³; (15) Molar Volume: 168.9 cm³; (16) Surface Tension: 53.5 dyne/cm; (17) Density: 1.226 g/cm³; (18) Flash Point: 193.7 °C; (19) Enthalpy of Vaporization: 68.24 kJ/mol; (20) Boiling Point: 396.7 °C at 760 mmHg; (21) Vapour Pressure: 5.25E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)Cc1ccc(cc1)C(=O)C
(2) InChI: InChI=1/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)
(3) InChIKey: ZXSBHXZKWRIEIA-UHFFFAOYAC