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N-Carbobenzoxy-DL-tryptophan - >97.0%(T), high purity , CAS No.13058-16-7
Basic Description
Synonyms | 2-(((Benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoic acid | MFCD11112234 | 1-(piperidin-4-yl)piperidine DiHCl | AB01681 | AB02665 | DL-Tryptophan, N-[(phenylmethoxy)carbonyl] | DL-Tryptophan, N-[(phenylmethoxy)carbonyl]- | N-Benzyloxycarbonyl-DL-tryp |
Specifications & Purity | ≥97%(T) |
Storage Temp | Argon charged |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 504756395 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756395 |
IUPAC Name | 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid |
INCHI | InChI=1S/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23) |
InChi Key | AHYFYYVVAXRMKB-UHFFFAOYSA-N |
Canonical SMILES | C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O |
Isomeric SMILES | C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O |
PubChem CID | 98198 |
Molecular Weight | 338.36 |
Reaxy-Rn | 96745 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity | air sensitive |
Melt Point(°C) | 166.0to171.0℃ |
Molecular Weight | 338.400 g/mol |
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XLogP3 | 2.300 |
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Hydrogen Bond Donor Count | 3 |
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Hydrogen Bond Acceptor Count | 4 |
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Rotatable Bond Count | 7 |
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Exact Mass | 338.127 Da |
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Monoisotopic Mass | 338.127 Da |
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Topological Polar Surface Area | 91.400 Ų |
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Heavy Atom Count | 25 |
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Formal Charge | 0 |
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Complexity | 464.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 1 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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