| CAS Number | 749866-15-7 |
| Catalog Number | AG00ICL1(AGN-PC-0U6JBZ) |
| Chemical Name | Trans-4-(Boc-aminomethyl)-cyclohexanecarboxamide |
| IUPAC Name | tert-butyl N-[(4-carbamoylcyclohexyl)methyl]carbamate |
| InChI | InChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15-8-9-4-6-10(7-5-9)11(14)16/h9-10H,4-8H2,1-3H3,(H2,14,16)(H,15,17) |
| InChI Key | ARNPKAXNHCOERS-UHFFFAOYSA-N |
| MDL Number | MFCD17171303 |
| Molecular Formula | C13H24N2O3 |
| Molecular Weight | 256.3413 |
| SMILES | CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CC1)C(N)=O |
| Synonyms | 749866-15-7,
trans-(4-Boc-aminomethyl)-cyclohexanecarboxamide,
tert-Butyl ((trans-4-carbamoylcyclohexyl)methyl)carbamate,
SCHEMBL1071046,
SCHEMBL16606373,
SCHEMBL17666373,
ARNPKAXNHCOERS-MGCOHNPYSA-N,
MFCD17171303,
ZINC255187015,
AS-37070,
tert-butyl((trans-4-carbamoylcyclohexyl)methyl)carbamate,
(4-Carbamoylcyclohexylmethyl)-carbamic acid tert-butyl ester and enantiomer,
[(4alpha-Carbamoylcyclohexane-1beta-yl)methyl]carbamic acid tert-butyl ester,
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| Complexity | 302 |
| 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 | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number