| CAS Number | 731810-57-4 |
| Catalog Number | AG00FAYB(AGN-PC-0U2FAH) |
| Chemical Name | Methyl 6-N-Boc-amino-3-formyl-1H-indole-4-carboxylate |
| IUPAC Name | methyl 3-formyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-4-carboxylate |
| InChI | InChI=1S/C16H18N2O5/c1-16(2,3)23-15(21)18-10-5-11(14(20)22-4)13-9(8-19)7-17-12(13)6-10/h5-8,17H,1-4H3,(H,18,21) |
| InChI Key | RJOLGXRDBFYRMF-UHFFFAOYSA-N |
| MDL Number | MFCD09800496 |
| Molecular Formula | C16H18N2O5 |
| Molecular Weight | 318.3245 |
| SMILES | O=C(C1=CC(NC(OC(C)(C)C)=O)=CC2=C1C(C=O)=CN2)OC |
| Synonyms | 731810-57-4,
Methyl 6-N-Boc-amino-3-formyl-1H-indole-4-carboxylate,
Methyl 6-((tert-butoxycarbonyl)amino)-3-formyl-1H-indole-4-carboxylate,
6-tert-butoxycarbonylamino-3-formyl-1h-indole-4-carboxylic acid methyl ester,
Methyl 6-[(tert-butoxycarbonyl)amino]-3-formyl-1H-indole-4-carboxylate,
SCHEMBL13987238,
CTK8E8645,
DTXSID60650727,
RJOLGXRDBFYRMF-UHFFFAOYSA-N,
MFCD09800496,
ZINC16698109,
AJ-69470,
AK139228,
AM807934,
AS-38083,
AB0076725,
AX8139266,
RT-013861,
FT-0716903,
X-1755,
methyl 3-formyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-4-carboxylate,
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| Complexity | 474 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.329g/mol |
| Monoisotopic Mass | 318.122g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 97.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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