| CAS Number | 920966-16-1 |
| Catalog Number | AG006K2D(AGN-PC-0VY6WW) |
| Chemical Name | tert-Butyl cis-(3-hydroxymethyl)cyclohexylcarbamate |
| IUPAC Name | tert-butyl N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]carbamate |
| InChI | InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10-6-4-5-9(7-10)8-14/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t9-,10+/m0/s1 |
| InChI Key | LBJSEPNOVVUVJA-VHSXEESVSA-N |
| MDL Number | MFCD03844608 |
| Molecular Formula | C12H23NO3 |
| Molecular Weight | 229.3159 |
| SMILES | CC(OC(N[C@H]1C[C@@H](CO)CCC1)=O)(C)C |
| Synonyms | 920966-16-1,
tert-Butyl cis-(3-hydroxymethyl)-cyclohexylcarbamate,
cis-tert-Butyl (3-hydroxymethyl)cyclohexylcarbamate,
Tert-Butyl Cis-(3-Hydroxymethyl)Cyclohexylcarbamate,
MFCD03844608,
SCHEMBL941563,
LBJSEPNOVVUVJA-VHSXEESVSA-N,
ZINC36040096,
AKOS025403952,
cis-3-(Boc-amino)cyclohexanemethanol, 97%,
A-8548,
tert-butyl (1R,3S)-3-(hydroxymethyl)cyclohexylcarbamate,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.32g/mol |
| Monoisotopic Mass | 229.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number