| CAS Number | 878376-13-7 |
| Catalog Number | AG00IESL(AGN-PC-00CFDM) |
| Chemical Name | Carbamic acid, [5-(aminomethyl)-2-thiazolyl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate |
| InChI | InChI=1S/C9H15N3O2S/c1-9(2,3)14-8(13)12-7-11-5-6(4-10)15-7/h5H,4,10H2,1-3H3,(H,11,12,13) |
| InChI Key | BJBOIRJERIUSFM-UHFFFAOYSA-N |
| MDL Number | MFCD10698172 |
| Molecular Formula | C9H15N3O2S |
| Molecular Weight | 229.2993 |
| SMILES | O=C(OC(C)(C)C)NC1=NC=C(CN)S1 |
| Synonyms | 878376-13-7,
tert-butyl (5-(aminomethyl)thiazol-2-yl)carbamate,
tert-Butyl 5-(aminomethyl)thiazol-2-ylcarbamate,
Tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate,
TERT-BUTYL [5-(AMINOMETHYL)-1,3-THIAZOL-2-YL]CARBAMATE,
MFCD10698172,
ZINC35904877,
AB61459,
FCH1627755,
KS-000005J8,
AK171249,
AS-34177,
CS-0047955,
Carbamic acid, [5-(aminomethyl)-2-thiazolyl]-, 1,1-dimethylethyl ester,
CID11601064,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.298g/mol |
| Monoisotopic Mass | 229.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number