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CAS No.: | 114873-03-9 |
---|---|
Name: | (S)-N-BOC-3-Chlorophenylalanine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C14H18 Cl N O4 |
Molecular Weight: | 299.754 |
Synonyms: | (2S)-2-[(tert-Butoxycarbonyl)amino]-3-(3-chlorophenyl)propionicacid; (S)-2-[(tert-Butoxycarbonyl)amino]-3-(3-chlorophenyl)propionic acid |
Density: | 1.245 |
Melting Point: | 110 ºC |
Boiling Point: | 452.5°Cat760mmHg |
Flash Point: | 227.5°C |
Hazard Symbols: | |
Safety: | S22;S24/25 |
PSA: | 75.63000 |
LogP: | 3.25130 |
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Molecular Formula: C14H18ClNO4
Molar mass: 299.75 g/mol
Density: 1.245 g/cm3
Flash Point: 227.5 °C
Index of Refraction: 1.538
Boiling Point: 452.5 °C at 760 mmHg
Vapour Pressure: 5.61E-09 mmHg at 25°C
Melting point: 110°C
Storage temp: Store at 0°C
Structure of Boc-l-3-Chlorophenylalanine (114873-03-9):
XLogP3-AA: 3.1
H-Bond Donor: 2
H-Bond Acceptor: 4
IUPAC Name: (2S)-3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]
propanoic acid
Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)Cl)C(=O)O
Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC=C1)Cl)C(=O)O
InChI: InChI=1S/C14H18ClNO4/c1-14(2,
3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,
19)(H,17,18)/t11-/m0/s1
InChIKey: RCZHBTHQISEPPP-NSHDSACASA-N
Product categories of Boc-l-3-Chlorophenylalanine (114873-03-9): Phenylalanine analogs and other aromatic alpha amino acids;Amino Acid Derivatives;Peptide;Unusual Amino Acids
Hazard Codes: Xi
Safety Statements:
22: Do not breathe dust
24: Avoid contact with skin
25: Avoid contact with eyes
Boc-l-3-Chlorophenylalanine (114873-03-9) is unnatural amino acid which also can be called for 3-Chloro-n-{[(2-methyl-2-propanyl)oxy]carbonyl}-l-phenylalanine ; L-phenylalanine, 3-chloro-n-[(1,1-dimethylethoxy)carbonyl]- ;Boc-d-3-chlorophenylalanine ; 3-(3-Chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid .