| CAS Number | 1206824-76-1 |
| Catalog Number | AG019EKF(AGN-PC-0WG48J) |
| Chemical Name | tert-Butyl (2-carbamoyl-1H-pyrrol-1-yl)carbamate |
| IUPAC Name | tert-butyl N-(2-carbamoylpyrrol-1-yl)carbamate |
| InChI | InChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)12-13-6-4-5-7(13)8(11)14/h4-6H,1-3H3,(H2,11,14)(H,12,15) |
| InChI Key | NDPXBGQXFWYSOE-UHFFFAOYSA-N |
| MDL Number | MFCD24471141 |
| Molecular Formula | C10H15N3O3 |
| Molecular Weight | 225.2444 |
| SMILES | CC(OC(NN1C(C(N)=O)=CC=C1)=O)(C)C |
| Synonyms | 1206824-76-1,
tert-Butyl (2-carbamoyl-1H-pyrrol-1-yl)carbamate,
1-([(TERT-BUTOXY)CARBONYL]AMINO)-1H-PYRROLE-2-CARBOXAMIDE,
1-{[(tert-butoxy)carbonyl]amino}-1H-pyrrole-2-carboxamide,
SCHEMBL1854385,
NDPXBGQXFWYSOE-UHFFFAOYSA-N,
MFCD24471141,
ZINC98209716,
FCH1664446,
TZ000837,
CS-0037888,
EN300-180267,
tert-butyl 2-carbamoyl-1H-pyrrol-1-ylcarbamate,
tert-butyl N-(2-carbamoylpyrrol-1-yl)carbamate,
1-([(t-Butoxy)carbonyl]amino)-1H-pyrrole-2-carboxamide,
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| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.248g/mol |
| Monoisotopic Mass | 225.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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