CAS No.3918-87-4,H-PHE-ALA-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3918-87-4
Name:	H-PHE-ALA-OH
Article Data:	6

Formula:	C₁₂H₁₆N₂O₃
Molecular Weight:	236.271
Synonyms:	Alanine,N-(3-phenyl-L-alanyl)- (7CI);Alanine, N-(3-phenyl-L-alanyl)-, L- (8CI);L-Alanine, N-L-phenylalanyl-;L-Phenylalanyl-L-alanine;
Density:	1.222g/cm³
Melting Point:	241℃ (Decomposition)
Boiling Point:	506 °C at 760 mmHg
Flash Point:	259.8 °C
PSA:	92.42000
LogP:	1.23690

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Specification

The L-Alanine,L-phenylalanyl-, with CAS registry number 3918-87-4, belongs to the following product categories: (1)Amino Acid Derivatives; (2)Dipeptides; (3)Dipeptides and Tripeptides; (4)Peptides. It has the systematic name of L-phenylalanyl-L-alanine. This chemical should be stored at the temperature of −20°C. And the chemical formula of this chemical is C₁₂H₁₆N₂O₃.

Physical properties of L-Alanine,L-phenylalanyl-: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.86; (4)ACD/LogD (pH 7.4): -2.04; (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: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 62.97 cm³; (15)Molar Volume: 193.2 cm³; (16)Polarizability: 24.96×10^-24cm³; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.222 g/cm³; (19)Flash Point: 259.8 °C; (20)Enthalpy of Vaporization: 81.69 kJ/mol; (21)Boiling Point: 506 °C at 760 mmHg; (22)Vapour Pressure: 4.63E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C
(2)InChI: InChI=1/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
(3)InChIKey: MIDZLCFIAINOQN-WPRPVWTQBF
(4)Std. InChI: InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
(5)Std. InChIKey: MIDZLCFIAINOQN-WPRPVWTQSA-N