| CAS Number | 477290-49-6 |
| Catalog Number | AG00I8OV(AGN-PC-0RVUIC) |
| Chemical Name | tert-Butyl N-{2-[(5-cyanopyridin-2-yl)amino]ethyl}carbamate |
| IUPAC Name | tert-butyl N-[2-[(5-cyanopyridin-2-yl)amino]ethyl]carbamate |
| InChI | InChI=1S/C13H18N4O2/c1-13(2,3)19-12(18)16-7-6-15-11-5-4-10(8-14)9-17-11/h4-5,9H,6-7H2,1-3H3,(H,15,17)(H,16,18) |
| InChI Key | XGMSBDDXDDUVOW-UHFFFAOYSA-N |
| MDL Number | MFCD24391875 |
| Molecular Formula | C13H18N4O2 |
| Molecular Weight | 262.3076 |
| SMILES | N#Cc1ccc(nc1)NCCNC(=O)OC(C)(C)C |
| Synonyms | 477290-49-6,
tert-Butyl (2-((5-cyanopyridin-2-yl)amino)ethyl)carbamate,
TERT-BUTYL N-{2-[(5-CYANOPYRIDIN-2-YL)AMINO]ETHYL}CARBAMATE,
tert-Butyl {2-[(5-cyanopyridin-2-yl)amino]ethyl}carbamate,
SCHEMBL8003211,
XGMSBDDXDDUVOW-UHFFFAOYSA-N,
ZINC49390604,
tert-Butyl{2-[(5-cyanopyridin-2-yl)amino]ethyl}carbamate,
tert-Butyl {2-[(5-cyanopyridin-2-yl)-amino]ethyl}carbamate,
CARBAMIC ACID, [2-[(5-CYANO-2-PYRIDINYL)AMINO]ETHYL]-, 1,1-DIMETHYLETHYLESTER,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.313g/mol |
| Monoisotopic Mass | 262.143g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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