| CAS Number | 1251200-06-2 |
| Catalog Number | AG01AHGC |
| Chemical Name | 3-([Methyl(1,3-thiazol-4-ylmethyl)amino]methyl)aniline |
| IUPAC Name | 3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]aniline |
| InChI | InChI=1S/C12H15N3S/c1-15(7-12-8-16-9-14-12)6-10-3-2-4-11(13)5-10/h2-5,8-9H,6-7,13H2,1H3 |
| InChI Key | RPJHXFTVSBKUOS-UHFFFAOYSA-N |
| MDL Number | MFCD12190906 |
| Molecular Formula | C12H15N3S |
| Molecular Weight | 233.3326 |
| SMILES | CN(CC1=CC(N)=CC=C1)CC1N=CSC=1 |
| Synonyms | 3-{[methyl(1,3-thiazol-4-ylmethyl)amino]methyl}aniline,
1251200-06-2,
ZINC42858813,
AKOS010874135,
MCULE-9611800340,
NE21292,
EN300-74670,
Z1266933862,
3-({methyl[(1,3-thiazol-4-yl)methyl]amino}methyl)aniline,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.333g/mol |
| Monoisotopic Mass | 233.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number