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65615-90-9

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Basic Information
CAS No.: 65615-90-9
Name: 4-Amino-N-(tert-butoxycarbonyl)-L-phenylalanine Methyl Ester
Article Data: 24
Molecular Structure:
Molecular Structure of 65615-90-9 (4-Amino-N-(tert-butoxycarbonyl)-L-phenylalanine Methyl Ester)
Formula: C15H22N2O4
Molecular Weight: 294.351
Synonyms: Methyl 4-amino-N-(tert-butoxycarbonyl)phenylalaninate;Phenylalanine, 4-amino-N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester;Methyl 3-(4-aminophenyl)-2-[(tert-butoxycarbonyl)amino]propanoate;
Density: 1.149 g/cm3
Melting Point: 67-69?C
Boiling Point: 460.159 °C at 760 mmHg
Flash Point: 232.096 °C
Appearance: Brown solid
PSA: 90.65000
LogP: 2.84970
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Specification

The L-Phenylalanine, 4-amino-N-[(1,1-dimethylethoxy)carbonyl]-, methylester with CAS registry number of 65615-90-9 is also known as Methyl 3-(4-aminophenyl)-2-[(tert-butoxycarbonyl)amino]propanoate. The systematic name is Methyl 4-amino-N-(tert-butoxycarbonyl)phenylalaninate. It belongs to product categories of Chemical Amines; Amines; Aromatics; Chiral Reagents. In addition, the formula is C15H22N2O4 and the molecular weight is 294.35. What's more, this chemical is a brown solid.

Physical properties about L-Phenylalanine, 4-amino-N-[(1,1-dimethylethoxy)carbonyl]-, methylester are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 22; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 307; (8)ACD/KOC (pH 7.4): 331; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 90.65Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 79.537 cm3; (15)Molar Volume: 256.283 cm3; (16)Polarizability: 31.531×10-24cm3; (17)Surface Tension: 43.478 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 232.096 °C; (20)Enthalpy of Vaporization: 72.078 kJ/mol; (21)Boiling Point: 460.159 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure: 
1. SMILES: Nc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)OC)cc1
2. InChI: InChI=1/C15H22N2O4/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-10-5-7-11(16)8-6-10/h5-8,12H,9,16H2,1-4H3,(H,17,19)
3. InChIKey: UUSXEIQYCSXKPN-UHFFFAOYAB
4. Std. InChI: InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-10-5-7-11(16)8-6-10/h5-8,12H,9,16H2,1-4H3,(H,17,19)
5. Std. InChIKey:  UUSXEIQYCSXKPN-UHFFFAOYSA-N