| CAS Number | 60759-10-6 |
| Catalog Number | AG00EC2Y(AGN-PC-03FRQW) |
| Chemical Name | 4-(1,3-thiazol-4-yl)aniline |
| IUPAC Name | 4-(1,3-thiazol-4-yl)aniline |
| InChI | InChI=1S/C9H8N2S/c10-8-3-1-7(2-4-8)9-5-12-6-11-9/h1-6H,10H2 |
| InChI Key | SDJUCFDTGVONMR-UHFFFAOYSA-N |
| MDL Number | MFCD08059802 |
| Molecular Formula | C9H8N2S |
| Molecular Weight | 176.2382 |
| SMILES | NC1=CC=C(C2=CSC=N2)C=C1 |
| Synonyms | 4-(1,3-Thiazol-4-yl)aniline,
60759-10-6,
4-(Thiazol-4-yl)aniline,
CHEMBRDG-BB 4010333,
4-(4-aminophenyl)thiazole,
SCHEMBL1353491,
CTK5B2201,
DTXSID70618156,
MFCD08059802,
ZINC15635467,
AKOS010521268,
MCULE-2335726131,
AJ-67690,
DA-18531,
4-(1,3-Thiazol-4-yl)aniline, AldrichCPR,
FT-0710799,
Y-3386,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.237g/mol |
| Monoisotopic Mass | 176.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H318
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P301+P310-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number