CAS No.17350-84-4,2-Methyl-D-phenylalanine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17350-84-4
Name:	2-Methyl-D-phenylalanine
Article Data:	37

Formula:	C₁₀H₁₃NO₂
Molecular Weight:	179.219
Synonyms:	Alanine,2-methyl-3-phenyl-, D- (8CI);(R)-(+)-a-Methylphenylalanine;(R)-2-Amino-2-methyl-3-phenylpropionic acid;(R)-a-Methylphenylalanine;D-a-Methylphenylalanine;a-Methyl-D-phenylalanine;
EINECS:	240-863-2
Density:	1.166g/cm³
Melting Point:	277-279 °C(Solv: acetone (67-64-1))
Boiling Point:	312.8 °C at 760 mmHg
Flash Point:	143 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	63.32000
LogP:	1.73140

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Specification

The D-Phenylalanine, a-methyl-, with CAS registry number 17350-84-4, belongs to the following product categories: (1)Unusual amino acids; (2)Pharmacetical; (3)Chiral Reagent. It has the systematic name of (2R)-2-ammonio-2-methyl-3-phenylpropanoate. And the chemical formula of this chemical is C₁₀H₁₃NO₂.

Physical properties of D-Phenylalanine, a-methyl-: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.03; (4)ACD/LogD (pH 7.4): -1.05; (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)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 50.13 cm³; (15)Molar Volume: 153.6 cm³; (16)Polarizability: 19.87×10^-24cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Enthalpy of Vaporization: 58.47 kJ/mol; (19)Vapour Pressure: 0.000221 mmHg at 25°C.

Uses of D-Phenylalanine, a-methyl-: it can be used to produce (R)-(-)-2-methyl-3-phenylalanine methyl ester. This reaction will need reagent HCl(gas). The yield is about 85.3%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@@](C)(Cc1ccccc1)[NH3+]
(2)InChI: InChI=1/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)/t10-/m1/s1
(3)InChIKey: HYOWVAAEQCNGLE-SNVBAGLBBV
(4)Std. InChI: InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)/t10-/m1/s1
(5)Std. InChIKey: HYOWVAAEQCNGLE-SNVBAGLBSA-N