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CAS No.: | 173963-93-4 |
---|---|
Name: | FMOC-L-4-CYANOPHENYLALANINE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C25H20N2O4 |
Molecular Weight: | 412.445 |
Synonyms: | Fmoc-Phe(4-CN)-OH;Fmoc-4-Cyano-L-phenylalanine; |
Density: | 1.35 g/cm3 |
Melting Point: | 189 °C |
Boiling Point: | 678.7 °C at 760 mmHg |
Flash Point: | 364.3 °C |
Appearance: | white powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 36/37 |
PSA: | 99.42000 |
LogP: | 4.48358 |
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Product Name: Fmoc-L-4-Cyanophenylalanine (CAS NO.173963-93-4)
Molecular Formula: C25H20N2O4
Molecular Weight: 412.44g/mol
Mol File: 173963-93-4.mol
Appearance: white powder
Melting Point: 189 °C
Storage Temperature: 2-8°C
Index of Refraction: 1.672
Molar Refractivity: 113.58 cm3
Molar Volume: 303.2 cm3
Surface Tension: 70.2 dyne/cm
Density: 1.35 g/cm3
Flash Point: 364.3 °C
Enthalpy of Vaporization: 104.64 kJ/mol
Boiling Point: 678.7 °C at 760 mmHg
Vapour Pressure: 2.38E-19 mmHg at 25°C
XLogP3-AA: 4.4
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of Fmoc-L-4-Cyanophenylalanine (CAS NO.173963-93-4):
IUPAC Name: (2S)-3-(4-cyanophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=C(C=C4)C#N)C(=O)O
Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)C#N)C(=O)O
InChI: InChI=1S/C25H20N2O4/c26-14-17-11-9-16(10-12-17)13-23(24(28)29)27-25(30)31-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-23H,13,15H2,(H,27,30)(H,28,29)/t23-/m0/s1
InChIKey: JOPKKUTWCGYCDA-QHCPKHFHSA-N
Product Categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; a-amino
Safety Information of Fmoc-L-4-Cyanophenylalanine (CAS NO.173963-93-4):
Hazard Codes: Xn
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 3
HazardClass: IRRITANT
Fmoc-L-4-Cyanophenylalanine , its CAS NO. is 173963-93-4, the synonyms are Fmoc-4-Cyano-L-phenylalanine ; Fmoc-Phe(4-CN)-OH .