| CAS Number | 1305712-89-3 |
| Catalog Number | AG019RNT(AGN-PC-0WOS5K) |
| Chemical Name | tert-Butyl 3-amino-4-cyanopyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-amino-4-cyanopyrrolidine-1-carboxylate |
| InChI | InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-5-7(4-11)8(12)6-13/h7-8H,5-6,12H2,1-3H3 |
| InChI Key | HTFUSRKVFAHZAU-UHFFFAOYSA-N |
| MDL Number | MFCD18089623 |
| Molecular Formula | C10H17N3O2 |
| Molecular Weight | 211.2609 |
| SMILES | NC1CN(CC1C#N)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 3-amino-4-cyanopyrrolidine-1-carboxylate,
1305712-89-3,
EN300-90036,
AC1Q1MWW,
SCHEMBL2738123,
AKOS026742236,
FCH1619163,
MCULE-8911800820,
NE50229,
Z1157651568,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.265g/mol |
| Monoisotopic Mass | 211.132g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number