L-Phenylalanine,N-(2,4-dinitrophenyl)- supplier

Name
N-(2,4-DINITROPHENYL)-L-PHENYLALANINE
EINECS 216-742-5
CAS No. 1655-54-5
Article Data5
CAS DataBase
Density 1.497 g/cm³
Solubility
Melting Point 187 °C
Formula C₁₅H₁₃N₃O₆
Boiling Point 588.5 °C at 760 mmHg
Molecular Weight 331.285
Flash Point 309.7 °C
Transport Information
Appearance Bright yellow powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-Dinitrophenyl-L-phenylalanine;
PSA 140.97000
LogP 3.73020

L-Phenylalanine,N-(2,4-dinitrophenyl)- Specification

The L-Phenylalanine,N-(2,4-dinitrophenyl)-, with the CAS registry number of 1655-54-5, is also known as 2,4-Dinitrophenyl-L-phenylalanine. It belongs to the product categories of Amino Acids; Amino Acids (N-Protected); Biochemistry; DNP-Amino Acids. Its EINECS registry number is 216-742-5. Its molecular formula is C₁₅H₁₃N₃O₆ and molecular weight is 331.28. What's more, its systematic name is N-(2,4-Dinitrophenyl)-L-phenylalanine.

Physical properties about the L-Phenylalanine,N-(2,4-dinitrophenyl)- are: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 5.19; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.38; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 121.18 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 84.22 cm³; (15)Molar Volume: 221.2 cm³; (16)Surface Tension: 73.5 dyne/cm; (17)Density: 1.497 g/cm³; (18)Flash Point: 309.7 °C; (19)Enthalpy of Vaporization: 92.39 kJ/mol; (20)Boiling Point: 588.5 °C at 760 mmHg; (21)Vapour Pressure: 1.08E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccc(N[C@H](C(=O)O)Cc1ccccc1)c(c2)[N+]([O-])=O
(2) InChI: InChI=1/C15H13N3O6/c19-15(20)13(8-10-4-2-1-3-5-10)16-12-7-6-11(17(21)22)9-14(12)18(23)24/h1-7,9,13,16H,8H2,(H,19,20)/t13-/m0/s1
(3) InChIKey: HJQHTLAEPSKXQJ-ZDUSSCGKBY

Product Name

N-(2,4-DINITROPHENYL)-L-PHENYLALANINE

L-Phenylalanine,N-(2,4-dinitrophenyl)- Specification

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