| CAS Number | 323578-38-7 |
| Catalog Number | AG01DM0K(AGN-PC-05VCB3) |
| Chemical Name | N-[6-(HYDROXYMETHYL)-3-PYRIDINYL]-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER |
| IUPAC Name | tert-butyl N-[6-(hydroxymethyl)pyridin-3-yl]carbamate |
| InChI | InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-8-4-5-9(7-14)12-6-8/h4-6,14H,7H2,1-3H3,(H,13,15) |
| InChI Key | FVXMQFNZAQVKAK-UHFFFAOYSA-N |
| MDL Number | MFCD12031249 |
| Molecular Formula | C11H16N2O3 |
| Molecular Weight | 224.2563 |
| SMILES | OCC1=CC=C(C=N1)NC(OC(C)(C)C)=O |
| Synonyms | 323578-38-7,
tert-butyl 6-(hydroxymethyl)pyridin-3-ylcarbamate,
tert-Butyl (6-(hydroxymethyl)pyridin-3-yl)carbamate,
(6-Hydroxymethyl-pyridin-3-yl)-carbamic acid tert-butyl ester,
tert-butyl N-[6-(hydroxymethyl)pyridin-3-yl]carbamate,
tert-Butyl [6-(hydroxymethyl)pyridin-3-yl]carbamate,
SCHEMBL853159,
DTXSID10653940,
FVXMQFNZAQVKAK-UHFFFAOYSA-N,
MFCD12031249,
ZINC32914774,
AKOS015916901,
AK339505,
DS-12631,
SC-34519,
FT-0657306,
A821241,
S02-0033,
tert-Butyl(6-(hydroxymethyl)pyridin-3-yl)carbamate,
N-[6-(hydroxymethyl)-3-pyridinyl]carbamic acid tert-butyl ester,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.26g/mol |
| Monoisotopic Mass | 224.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number