| CAS Number | 1454913-95-1 |
| Catalog Number | AG01BFS0(AGN-PC-0WOFQE) |
| Chemical Name | tert-butyl N-(1-cyclopentyl-3-hydroxypropan-2-yl)carbamate |
| IUPAC Name | tert-butyl N-(1-cyclopentyl-3-hydroxypropan-2-yl)carbamate |
| InChI | InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11(9-15)8-10-6-4-5-7-10/h10-11,15H,4-9H2,1-3H3,(H,14,16) |
| InChI Key | ZLEBLWDLKHDYEW-UHFFFAOYSA-N |
| MDL Number | MFCD24538218 |
| Molecular Formula | C13H25NO3 |
| Molecular Weight | 243.3425 |
| SMILES | CC(OC(NC(CC1CCCC1)CO)=O)(C)C |
| Synonyms | 1454913-95-1,
tert-butyl N-(1-cyclopentyl-3-hydroxypropan-2-yl)carbamate,
tert-butyl 3-cyclopentyl-1-hydroxypropan-2-ylcarbamate,
tert-butyl [2-cyclopentyl-1-(hydroxymethyl)ethyl]carbamate,
SCHEMBL3613715,
ZLEBLWDLKHDYEW-UHFFFAOYSA-N,
AKOS026740852,
NE39479,
BS-12469,
DA-44450,
FT-0745569,
tert-butyl 1-cyclopentyl-3-hydroxypropan-2-ylcarbamate,
Z1552366179,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.347g/mol |
| Monoisotopic Mass | 243.183g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number