| CAS Number | 33952-53-3 |
| Catalog Number | AG00I6PI(AGN-PC-0R9F4Y) |
| Chemical Name | N-(2-BOC-AMINOACETYL)CYCLOHEXYLAMINE |
| IUPAC Name | tert-butyl N-[2-(cyclohexylamino)-2-oxoethyl]carbamate |
| InChI | InChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)14-9-11(16)15-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | QNEDZRDYGQNWLG-UHFFFAOYSA-N |
| MDL Number | MFCD20126182 |
| Molecular Formula | C13H24N2O3 |
| Molecular Weight | 256.3413 |
| SMILES | O=C(NC1CCCCC1)CNC(=O)OC(C)(C)C |
| Synonyms | N-(2-Boc-aminoacetyl)cyclohexylamine,
33952-53-3,
tert-Butyl (2-(cyclohexylamino)-2-oxoethyl)carbamate,
SCHEMBL12942650,
MFCD20126182,
ZINC49397796,
AKOS027252833,
tert-butyl N-[(cyclohexylcarbamoyl)methyl]carbamate,
tert-butyl (cyclohexylcarbamoyl)methylcarbamate,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.346g/mol |
| Monoisotopic Mass | 256.179g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number