Phenylalanine,4-(phosphonomethyl)- supplier

Name
4-PHOSPHONOMETHYL-D-PHENYLALANINE
EINECS
CAS No. 120667-17-6
Article Data1
CAS DataBase
Density 1.499g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄NO₅P
Boiling Point 544.7 °C at 760 mmHg
Molecular Weight 259.199
Flash Point 283.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-Phenylalanine,4-(phosphonomethyl)-;4-(Phosphonomethyl)-DL-phenylalanine;Phosphonomethyl-phenylalanine;4-(phosphonomethyl)phenylalanine;p-(Phosphonomethyl)phenylalanine;phenylalanine, 4-(phosphonomethyl)-;
PSA 130.66000
LogP 1.01900

Phenylalanine,4-(phosphonomethyl)- Specification

The Phenylalanine,4-(phosphonomethyl)-, with the CAS registry number 120667-17-6, has the systematic name of 4-(phosphonomethyl)phenylalanine. It belongs to the product category of Amino Acids. And the molecular formula of the chemical is C₁₀H₁₄NO₅P.

The characteristics of Phenylalanine,4-(phosphonomethyl)- are as followings: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 74.88 Å²; (10)Index of Refraction: 1.615; (11)Molar Refractivity: 60.35 cm³; (12)Molar Volume: 172.9 cm³; (13)Polarizability: 23.92×10^-24cm³; (14)Surface Tension: 78.2 dyne/cm; (15)Density: 1.499 g/cm³; (16)Flash Point: 283.2 °C; (17)Enthalpy of Vaporization: 86.65 kJ/mol; (18)Boiling Point: 544.7 °C at 760 mmHg; (19)Vapour Pressure: 1.07E-12 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O
(2)InChI: InChI=1/C10H14NO5P/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)
(3)InChIKey: SAQLLHDEEMZENJ-UHFFFAOYAO

Product Name

4-PHOSPHONOMETHYL-D-PHENYLALANINE

Phenylalanine,4-(phosphonomethyl)- Specification

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