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40332-25-0

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Basic Information
CAS No.: 40332-25-0
Name: N-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]-L-phenylalanine
Molecular Structure:
Molecular Structure of 40332-25-0 (N-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]-L-phenylalanine)
Formula: C19H19N3O3
Molecular Weight: 337.378
Synonyms: (S)-Methyl 2-(2-(2-methyl-1H-benzo[d]imidazol-1-yl)acetamido)-3-phenylpropanoate;N-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]-L-phenylalanine
Density: 1.27 g/cm3
Boiling Point: 651.6 °C at 760 mmHg
Flash Point: 347.9 °C
PSA: 73.22000
LogP: 2.63610
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Specification

The N-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]-L-phenylalanine is an organic compound with the formula C19H19N3O3. The systematic name of this chemical is L-phenylalanine, N-[2-(2-methyl-1H-benzimidazol-1-yl)acetyl]-. With the CAS registry number 40332-25-0, it is also named as (S)-Methyl 2-(2-(2-methyl-1H-benzo[d]imidazol-1-yl)acetamido)-3-phenylpropanoate.

Physical properties about N-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]-L-phenylalanine are: (1)ACD/LogP: 2.99; (2)ACD/LogD (pH 5.5): 0.59; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.04; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 84.22 Å2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 94.89 cm3; (14)Molar Volume: 264 cm3; (15)Polarizability: 37.62×10-24cm3; (16)Surface Tension: 51.3 dyne/cm; (17)Density: 1.27 g/cm3; (18)Flash Point: 347.9 °C; (19)Enthalpy of Vaporization: 100.89 kJ/mol; (20)Boiling Point: 651.6 °C at 760 mmHg; (21)Vapour Pressure: 7.25E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc2ccccc2n1CC(=O)N[C@@H](Cc3ccccc3)C(=O)O
(2)InChI: InChI=1/C19H19N3O3/c1-13-20-15-9-5-6-10-17(15)22(13)12-18(23)21-16(19(24)25)11-14-7-3-2-4-8-14/h2-10,16H,11-12H2,1H3,(H,21,23)(H,24,25)/t16-/m0/s1
(3)InChIKey: UIFZRNJPCWIOLJ-INIZCTEOBP
(4)Std. InChI: InChI=1S/C19H19N3O3/c1-13-20-15-9-5-6-10-17(15)22(13)12-18(23)21-16(19(24)25)11-14-7-3-2-4-8-14/h2-10,16H,11-12H2,1H3,(H,21,23)(H,24,25)/t16-/m0/s1
(5)Std. InChIKey: UIFZRNJPCWIOLJ-INIZCTEOSA-N