| CAS Number | 155541-96-1 |
| Catalog Number | AG01BIFA(AGN-PC-03OPLU) |
| Chemical Name | tert-Butyl N-cyclopropyl-N-(3-hydroxypropyl)carbamate |
| IUPAC Name | tert-butyl N-cyclopropyl-N-(3-hydroxypropyl)carbamate |
| InChI | InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12(7-4-8-13)9-5-6-9/h9,13H,4-8H2,1-3H3 |
| InChI Key | LLXMKOTWXMKYCL-UHFFFAOYSA-N |
| MDL Number | MFCD09263417 |
| Molecular Formula | C11H21NO3 |
| Molecular Weight | 215.2893 |
| SMILES | CC(OC(N(C1CC1)CCCO)=O)(C)C |
| Synonyms | 155541-96-1,
tert-butyl cyclopropyl(3-hydroxypropyl)carbamate,
tert-butyl N-cyclopropyl-N-(3-hydroxypropyl)carbamate,
SCHEMBL4914499,
LLXMKOTWXMKYCL-UHFFFAOYSA-N,
N-tert-butoxycarbonyl-3-cyclopropylamino-propanol,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.293g/mol |
| Monoisotopic Mass | 215.152g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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