| CAS Number | 1408076-45-8 |
| Catalog Number | AG001CV8(AGN-PC-0WCJRB) |
| Chemical Name | Carbamic acid, N-[(3-hydroxy-3-oxetanyl)methyl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[(3-hydroxyoxetan-3-yl)methyl]carbamate |
| InChI | InChI=1S/C9H17NO4/c1-8(2,3)14-7(11)10-4-9(12)5-13-6-9/h12H,4-6H2,1-3H3,(H,10,11) |
| InChI Key | AOZVJTNFMKPQPK-UHFFFAOYSA-N |
| MDL Number | MFCD22628739 |
| Molecular Formula | C9H17NO4 |
| Molecular Weight | 203.2356 |
| SMILES | O=C(OC(C)(C)C)NCC1(O)COC1 |
| Synonyms | 1408076-45-8,
tert-Butyl ((3-hydroxyoxetan-3-yl)methyl)carbamate,
(3-HYDROXY-OXETAN-3-YLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTER,
TERT-BUTYL N-[(3-HYDROXYOXETAN-3-YL)METHYL]CARBAMATE,
KS-000007IU,
MFCD22628739,
ZINC95630840,
AKOS027251846,
PB38762,
SB20731,
AS-46600,
(3-(Boc-aminomethyl)-3-hydroxyoxetan-3-ol,
CS-0047427,
Q-3336,
Carbamic acid, N-[(3-hydroxy-3-oxetanyl)methyl]-, 1,1-dimethylethyl ester,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.238g/mol |
| Monoisotopic Mass | 203.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number