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3061-93-6

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Basic Information
CAS No.: 3061-93-6
Name: H-ALA-D-PHE-OH
Molecular Structure:
Molecular Structure of 3061-93-6 (H-ALA-D-PHE-OH)
Formula: C12H16N2O3
Molecular Weight: 236.271
Synonyms: Alanine,N-L-alanyl-3-phenyl-, D- (8CI);D-Phenylalanine, N-L-alanyl-;Alanyl-D-phenylalanine;L-Alanyl-D-phenylalanine;
Density: 1.222 g/cm3
Boiling Point: 487.586 °C at 760 mmHg
Flash Point: 248.683 °C
PSA: 92.42000
LogP: 1.23690
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Specification

The CAS register number of D-Phenylalanine,L-alanyl- is 3061-93-6. It also can be called as Alanyl-D-phenylalanine and the systematic name about this chemical is (2R)-2-(2-aminopropanoylamino)-3-phenyl-propanoic acid. The molecular formula about this chemical is C12H16N2O3 and the molecular weight is 236.27. The storage temperature of  this chemical is -15 °C.

Physical properties about D-Phenylalanine,L-alanyl- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 92.42 Å2; (9)Index of Refraction: 1.565; (10)Molar Refractivity: 62.975 cm3; (11)Molar Volume: 193.27 cm3; (12)Polarizability: 24.965x10-24cm3; (13)Surface Tension: 53.063 dyne/cm; (14)Density: 1.222 g/cm3; (15)Flash Point: 248.683 °C; (16)Enthalpy of Vaporization: 79.365 kJ/mol; (17)Boiling Point: 487.586 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C(=O)N[C@H](Cc1ccccc1)C(=O)O)N
(2)InChI: InChI=1/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8?,10-/m1/s1
(3)InChIKey: OMNVYXHOSHNURL-LHIURRSHBD
(4)Std. InChI: InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8?,10-/m1/s1
(5)Std. InChIKey: OMNVYXHOSHNURL-LHIURRSHSA-N