| CAS Number | 1331825-48-9 |
| Catalog Number | AG0014D7(AGN-PC-0WBRHD) |
| Chemical Name | 1-Piperidinecarboxylic acid, 3-hydroxy-3-(2-propen-1-yl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-hydroxy-3-prop-2-enylpiperidine-1-carboxylate |
| InChI | InChI=1S/C13H23NO3/c1-5-7-13(16)8-6-9-14(10-13)11(15)17-12(2,3)4/h5,16H,1,6-10H2,2-4H3 |
| InChI Key | CBHSLDWWMOVQSD-UHFFFAOYSA-N |
| MDL Number | MFCD27987033 |
| Molecular Formula | C13H23NO3 |
| Molecular Weight | 241.3266 |
| SMILES | O=C(N1CC(O)(CC=C)CCC1)OC(C)(C)C |
| Synonyms | 1331825-48-9,
1-Boc-3-allyl-3-hydroxypiperidine,
tert-Butyl 3-allyl-3-hydroxypiperidine-1-carboxylate,
tert-butyl 3-hydroxy-3-(prop-2-en-1-yl)piperidine-1-carboxylate,
SCHEMBL17763771,
KS-000004HU,
MFCD27987033,
AKOS025290972,
FCH3133310,
SB11777,
AK171002,
AS-34011,
CS-0048290,
1-Boc-3-allyl-3-hydroxypiperidine, AldrichCPR,
tert-Butyl 3-allyl-3-hydroxy-piperidine-1-carboxylate,
tert-butyl 3-hydroxy-3-prop-2-enylpiperidine-1-carboxylate,
1-Piperidinecarboxylic acid, 3-hydroxy-3-(2-propen-1-yl)-, 1,1-dimethylethyl ester,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.331g/mol |
| Monoisotopic Mass | 241.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
|
6.1
|
|
Hazard statements
|
H301
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P301+P310
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number