| CAS Number | 1638761-29-1 |
| Catalog Number | AG00HYYG(AGN-PC-0WD8SL) |
| Chemical Name | tert-butylN-{[3-(hydroxymethyl)bicyclo[1.1.1]pentan-1-yl]methyl}carbamate |
| IUPAC Name | tert-butyl N-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate |
| InChI | InChI=1S/C12H21NO3/c1-10(2,3)16-9(15)13-7-11-4-12(5-11,6-11)8-14/h14H,4-8H2,1-3H3,(H,13,15) |
| InChI Key | WKAJJGDMKAXWMH-UHFFFAOYSA-N |
| MDL Number | MFCD27987012 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | O=C(OC(C)(C)C)NCC1(C2)CC2(CO)C1 |
| Synonyms | 1638761-29-1,
tert-Butyl ((3-(hydroxymethyl)bicyclo[1.1.1]pentan-1-yl)methyl)carbamate,
tert-butylN-{[3-(hydroxymethyl)bicyclo[1.1.1]pentan-1-yl]methyl}carbamate,
TERT-BUTYL N-{[3-(HYDROXYMETHYL)BICYCLO[1.1.1]PENTAN-1-YL]METHYL}CARBAMATE,
AKOS027336886,
ZINC258839795,
FCH3133298,
SB11718,
OR312443,
CS-0055563,
3-(BOC-AMINOMETHYL)-BICYCLO[1.1.1]PENTANE-1-METHANOL,
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| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.304g/mol |
| Monoisotopic Mass | 227.152g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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