| CAS Number | 869895-17-0 |
| Catalog Number | AG004HDL(AGN-PC-08XZZP) |
| Chemical Name | (4-OXO-CYCLOHEXYLMETHYL)-CARBAMIC ACID BENZYL ESTER |
| IUPAC Name | benzyl N-[(4-oxocyclohexyl)methyl]carbamate |
| InChI | InChI=1S/C15H19NO3/c17-14-8-6-12(7-9-14)10-16-15(18)19-11-13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,16,18) |
| InChI Key | KBXVCSAZKWKBLJ-UHFFFAOYSA-N |
| MDL Number | MFCD11501248 |
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.3163 |
| SMILES | O(CC1C=CC=CC=1)C(NCC1CCC(CC1)=O)=O |
| Synonyms | 4-N-Cbz-Aminomethyl-cyclohexone,
869895-17-0,
benzyl (4-oxocyclohexyl)methylcarbamate,
(4-Oxo-cyclohexylmethyl)-carbamic acid benzyl ester,
Benzyl ((4-oxocyclohexyl)methyl)carbamate,
Benzyl [(4-oxocyclohexyl)methyl]carbamate,
CTK8F0212,
DTXSID90679446,
KBXVCSAZKWKBLJ-UHFFFAOYSA-N,
4-N-Cbz-Aminomethyl-cyclohexanone,
MFCD11501248,
ZINC44137891,
benzyl(4-oxocyclohexyl)methylcarbamate,
FCH2837691,
AS-37180,
DA-02230,
AX8266759,
RT-009805,
FT-0713147,
X-3809,
-CARBAMICACIDBENZYLESTER,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.321g/mol |
| Monoisotopic Mass | 261.136g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.4A^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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