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D-Phenylalanine

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D-Phenylalanine

EINECS 211-603-5
CAS No. 673-06-3 Density 1.201 g/cm3
Solubility water: 27 g/L (20 °C) Melting Point 273-276 °C(lit.)
Formula C9H11NO2 Boiling Point 307.5 °C at 760 mmHg
Molecular Weight 165.21 Flash Point 139.8 °C
Transport Information Appearance white crystalline powder
Safety 24/25-45-36/37/39-27-26 Risk Codes 34
Molecular Structure Molecular Structure of 673-06-3 (D-Phenylalanine) Hazard Symbols IrritantXi
Synonyms

Alanine, phenyl-, D-;NCI-C60195;phenylalanine D-form;D-alpha-Amino-beta-phenylpropionic acid;CPD-216;Sabiden;D-.beta.-Phenylalanine;(2R)-2-amino-3-phenylpropanoic acid;D-Phenylalanine(673-06-3);H-D-Phe-OH;D-Phenylalanine, (R)-2-Amino-3-phenyl- propionic acid;D-alpha-aminohydrocinnamic acid;

 

D-Phenylalanine Consensus Reports

Reported in EPA TSCA Inventory.

D-Phenylalanine Specification

D-Phenylalanine is an essential amino acid. With cas registry number of 673-06-3, it also has other registry number which is 10549-11-8. Its EINECS registry number is 211-603-5. This chemical is also known as Phenylalanine D-form with appearance of white crystalline powder. It is stable, but incompatible with strong oxidizing agents, acids, bases. It belongs to the categories in Benzene derivatives; Aromatic Propionic Acids; Phenylalanine [Phe, F]; Amino Acids and Derivatives; alpha-Amino Acids; Amino Acids; Biochemistry; Amino Acids; chemicals; organic acids; pharmaceutical intermediate; phenlalnine.

Physical properties about this chemical are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.39; (4)ACD/LogD (pH 7.4): -1.39; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 45.49 cm3; (14)Molar Volume: 137.4 cm3; (15)Surface Tension: 53.5 dyne/cm; (16)Density: 1.201 g/cm3; (17)Flash Point: 139.8 °C; (18)Enthalpy of Vaporization: 57.87 kJ/mol; (19)Boiling Point: 307.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000313 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
Mildly toxic by intraperitoneal route. Human systemic effects by ingestion: nausea, hypermotility, diarrhea. When heated to decomposition, it emits toxic fumes of NOx. It can causes burns. Wear suitable protective clothing, gloves and eye/face protection during using it. Avoid contact with skin and eyes. Take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Or if you feel unwell, seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)Cc1ccccc1;
(2)InChI: InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1;
(3)InChIKey: COLNVLDHVKWLRT-MRVPVSSYBE

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 500mg/kg/5W-I (500mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: NAUSEA OR VOMITING
Journal of the American College of Toxicology. Vol. 1(3), Pg. 124, 1982.
rat LD50 intraperitoneal 5452mg/kg (5452mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Archives of Biochemistry and Biophysics. Vol. 64, Pg. 319, 1956.

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