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D-Tryptophan Benzyl Ester Hydrochloride - ≥98.0%(N), high purity , CAS No.22839-16-3
Basic Description
Synonyms | (R)-benzyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride | AKOS015847215 | MFCD00237293 | benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride | H-D-Trp-OBzl.HCl | D-Tryptophan Benzyl Ester Hydrochloride | T2438 | D-Tryptophan,phenylmethyl es |
Specifications & Purity | ≥98%(N) |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 488201034 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488201034 |
IUPAC Name | benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride |
INCHI | InChI=1S/C18H18N2O2.ClH/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17;/h1-9,11,16,20H,10,12,19H2;1H/t16-;/m1./s1 |
InChi Key | DOKDMGOWZOTZRA-PKLMIRHRSA-N |
Canonical SMILES | C1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)N.Cl |
Isomeric SMILES | C1=CC=C(C=C1)COC(=O)[C@@H](CC2=CNC3=CC=CC=C32)N.Cl |
PubChem CID | 44629900 |
Molecular Weight | 330.81 |
Reaxy-Rn | 4618335 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Specific Rotation[α] | -32° (C=1,DMF) |
Melt Point(°C) | 215°C(lit.) |
Molecular Weight | 330.800 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 3 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 6 |
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Exact Mass | 330.114 Da |
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Monoisotopic Mass | 330.114 Da |
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Topological Polar Surface Area | 68.100 Ų |
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Heavy Atom Count | 23 |
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Formal Charge | 0 |
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Complexity | 368.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 1 |
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Undefined Atom Stereocenter Count | 0 |
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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 | 2 |
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