| CAS Number | 74853-62-6 |
| Catalog Number | AG0058TU(AGN-PC-0OHJ08) |
| Chemical Name | Trt-His(Trt)-OH |
| IUPAC Name | 2-(tritylamino)-3-(1-tritylimidazol-4-yl)propanoic acid |
| InChI | InChI=1S/C44H37N3O2/c48-42(49)41(46-43(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36)31-40-32-47(33-45-40)44(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-30,32-33,41,46H,31H2,(H,48,49) |
| InChI Key | FFVVHORODDZQPF-UHFFFAOYSA-N |
| MDL Number | MFCD00153443 |
| Molecular Formula | C44H37N3O2 |
| Molecular Weight | 639.7835 |
| NSC Number | 125175 |
| SMILES | O=C(O)[C@H](CC1=CN(C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=N1)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7 |
| Synonyms | n,1-ditritylhistidine,
74853-62-6,
2-(tritylamino)-3-(1-tritylimidazol-4-yl)propanoic acid,
NSC125175,
AC1L5KHU,
AC1Q5SKH,
CTK2I0787,
DTXSID60298663,
AKOS024350629,
MCULE-1131049820,
NSC-125175,
ST50975052,
2-[(triphenylmethyl)amino]-3-[1-(triphenylmethyl)imidazol-4-yl]propanoic acid,
Trt-His(Trt)-OH,
AR-1K0313,
CID276751,
75681-61-7,
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| Complexity | 905 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 639.289g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 49 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 639.799g/mol |
| Monoisotopic Mass | 639.289g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number