| CAS Number | 3226-92-4 |
| Catalog Number | AG00C7W5(AGN-PC-0R7LLQ) |
| Chemical Name | Trt-Phe-OH Dea |
| IUPAC Name | N-ethylethanamine;(2S)-3-phenyl-2-(tritylamino)propanoic acid |
| InChI | InChI=1S/C28H25NO2.C4H11N/c30-27(31)26(21-22-13-5-1-6-14-22)29-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-3-5-4-2/h1-20,26,29H,21H2,(H,30,31);5H,3-4H2,1-2H3/t26-;/m0./s1 |
| InChI Key | BSLKHJZVHGFJPR-SNYZSRNZSA-N |
| MDL Number | MFCD00238394 |
| Molecular Formula | C32H36N2O2 |
| Molecular Weight | 480.6404 |
| SMILES | CCNCC.OC(=O)[C@H](CC1=CC=CC=C1)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonyms | Trt-Phe-OH Dea,
3226-92-4,
N-alpha-Trityl-L-phenylalanine diethylamine,
Diethylamine (S)-3-phenyl-2-(tritylamino)propanoate,
TRT-PHE-OH.DEA,
Trityl-L-Phenylalanine diethylammonium salt,
C28H25NO2.C4H11N,
7834AH,
MFCD00238394,
AS-46891,
Trityl-L-Phenylalaninediethylammoniumsalt,
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| Complexity | 503 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 480.278g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 480.652g/mol |
| Monoisotopic Mass | 480.278g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number