| CAS Number | 386768-81-6 |
| Catalog Number | AG00CMN0(AGN-PC-0RH4D7) |
| Chemical Name | Tert-butyl 2-(3-cyanobenzyl)hydrazinecarboxylate |
| IUPAC Name | tert-butyl N-[(3-cyanophenyl)methylamino]carbamate |
| InChI | InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)16-15-9-11-6-4-5-10(7-11)8-14/h4-7,15H,9H2,1-3H3,(H,16,17) |
| InChI Key | SNTBQRVSDCIKPL-UHFFFAOYSA-N |
| MDL Number | MFCD24465996 |
| Molecular Formula | C13H17N3O2 |
| Molecular Weight | 247.2930 |
| SMILES | N#Cc1cccc(c1)CNNC(=O)OC(C)(C)C |
| Synonyms | tert-butyl 2-(3-cyanobenzyl)hydrazinecarboxylate,
386768-81-6,
SCHEMBL5106820,
CTK7C8489,
SNTBQRVSDCIKPL-UHFFFAOYSA-N,
MFCD24465996,
ZINC36468247,
t-Butyl 2-(3-cyanobenzyl)hydrazinecarboxylate,
tert-butyl 2-(3-cyanobenzyl)-1-hydrazinecarboxylate,
tert-butyl 2-(3-cyanobenzyl)hydrazine-1-carboxylate,
CID11831759,
Tert-butyl N-[(3-cyanophenyl)methylamino]carbamate,
1-(4-(3-methoxy-4-nitrophenyl)piperazin-1-yl)ethanone,
1116229-11-8,
|
| Complexity | 327 |
| 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
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