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| CAS No.: | 3588-57-6 |
|---|---|
| Name: | N-CARBOBENZOXY-DL-PHENYLALANINE |
| Article Data: | 25 |
| Molecular Structure: | |
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| Formula: | C17H17NO4 |
| Molecular Weight: | 299.326 |
| Synonyms: | Alanine,N-carboxy-3-phenyl-, N-benzyl ester, DL- (8CI);2-((Benzyloxycarbonyl)amino)-3-phenylpropanoic acid;Carbobenzoxy-DL-phenylalanine;DL-(Carbobenzyloxy)phenylalanine;DL-N-(Benzoxycarbonyl)phenylalanine;N-(Benzyloxycarbonyl)-DL-phenylalanine;N-Carbobenzoxy-DL-phenylalanine; |
| EINECS: | 222-726-9 |
| Density: | 1.248 g/cm3 |
| Melting Point: | 102-104 °C |
| Boiling Point: | 511.5 °C at 760 mmHg |
| Flash Point: | 263.1 °C |
| Appearance: | White to off-white microcrystalline powder |
| Safety: | 24/25 |
| PSA: | 75.63000 |
| LogP: | 2.99960 |
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Specification
The N-Benzyloxycarbonyl-L-phenylalanine, with the cas registry number 3588-57-6 and EINECS registry number 222-726-9, has the systematic name of N-[(benzyloxy)carbonyl]phenylalanine. The molecular formula of the chemical is C17H17NO4. And it belongs to the following product categories: Amino Acids; Amino Acids (N-Protected); Biochemistry; Cbz-Amino Acids; Cbz-Amino acid series.
The characteristics of this chemical are as followings: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 2.52; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.21; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 81.08 cm3; (15)Molar Volume: 239.7 cm3; (16)Polarizability: 32.14×10-24cm3; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 263.1 °C; (20)Enthalpy of Vaporization: 82.38 kJ/mol; (21)Boiling Point: 511.5 °C at 760 mmHg; (22)Vapour Pressure: 2.76E-11 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2
(2)InChI: InChI=1/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)
(3)InChIKey: RRONHWAVOYADJL-UHFFFAOYAZ