| CAS Number | 937656-81-0 |
| Catalog Number | AG00H2AS(AGN-PC-0WO9M2) |
| Chemical Name | (2-tert-butyl-1,3-thiazol-4-yl)methanamine |
| IUPAC Name | (2-tert-butyl-1,3-thiazol-4-yl)methanamine |
| InChI | InChI=1S/C8H14N2S/c1-8(2,3)7-10-6(4-9)5-11-7/h5H,4,9H2,1-3H3 |
| InChI Key | YBQQIYCCZQFERZ-UHFFFAOYSA-N |
| MDL Number | MFCD09693925 |
| Molecular Formula | C8H14N2S |
| Molecular Weight | 170.2752 |
| SMILES | CC(C1SC=C(CN)N=1)(C)C |
| Synonyms | (2-(tert-Butyl)thiazol-4-yl)methanamine,
937656-81-0,
(2-tert-butyl-1,3-thiazol-4-yl)methanamine,
AC1Q1MCH,
SCHEMBL442074,
CTK7E6844,
YBQQIYCCZQFERZ-UHFFFAOYSA-N,
ZINC20216485,
AKOS000320895,
MCULE-7176104096,
NE50042,
2-(1,1-dimethylethyl)-4-thiazolemethanamine,
EN300-59778,
4-Thiazolemethanamine, 2-(1,1-dimethylethyl)-,
Z1262252980,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.274g/mol |
| Monoisotopic Mass | 170.088g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number