| CAS Number | 149267-90-3 |
| Catalog Number | AG001LJO(AGN-PC-0Q32MM) |
| Chemical Name | Tert-butyl 2-(4-cyanobenzyl)hydrazinecarboxylate |
| IUPAC Name | tert-butyl N-[(4-cyanophenyl)methylamino]carbamate |
| InChI | InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)16-15-9-11-6-4-10(8-14)5-7-11/h4-7,15H,9H2,1-3H3,(H,16,17) |
| InChI Key | POKKJVNZXJKYSS-UHFFFAOYSA-N |
| MDL Number | MFCD12165894 |
| Molecular Formula | C13H17N3O2 |
| Molecular Weight | 247.2930 |
| SMILES | N#Cc1ccc(cc1)CNNC(=O)OC(C)(C)C |
| Synonyms | tert-butyl 2-(4-cyanobenzyl)hydrazinecarboxylate,
149267-90-3,
SCHEMBL6443449,
MFCD12165894,
ZINC34435203,
t-Butyl 2-(4-cyanobenzyl)hydrazinecarboxylate,
tert-butyl 2-(4-cyanobenzyl)hydrazine-1-carboxylate,
Hydrazinecarboxylic acid, 2-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester,
3-bromoimidazo[1,2-a]pyrazine,
CID10753011,
Tert-butyl N-[(4-cyanophenyl)methylamino]carbamate,
57948-41-1,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.298g/mol |
| Monoisotopic Mass | 247.132g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number