| CAS Number | 1448189-30-7 |
| Catalog Number | AG01B5LZ(AGN-PC-0WCTXK) |
| Chemical Name | [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine |
| IUPAC Name | [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine |
| InChI | InChI=1S/C11H12N2S/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10/h2-5,7H,6,12H2,1H3 |
| InChI Key | PCZXZPOWHWJXDZ-UHFFFAOYSA-N |
| MDL Number | MFCD28965258 |
| Molecular Formula | C11H12N2S |
| Molecular Weight | 204.2914 |
| SMILES | CC=1N=CSC1C1=CC=C(C=C1)CN |
| Synonyms | (4-(4-methylthiazol-5-yl)phenyl)methanamine,
1448189-30-7,
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine,
[4-(4-methylthiazol-5-yl)phenyl]methanamine,
SCHEMBL15110380,
PCZXZPOWHWJXDZ-UHFFFAOYSA-N,
BCP23580,
4-(4-Methyl-5-thiazolyl)benzylamine,
AKOS030235598,
ZINC223350123,
FT-0748205,
A1-09441,
4-(4-Methylthiazol-5-yl)benzylamine,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.291g/mol |
| Monoisotopic Mass | 204.072g/mol |
| Rotatable Bond Count | 2 |
| 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
|
|
|
Hazard statements
|
H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
|
|
UN Code
|
|
Certificate of Analysis
Lot Number