| CAS Number | 325491-86-9 |
| Catalog Number | AG00I660(AGN-PC-0WONFR) |
| Chemical Name | 3-(4-Methyl-1,3-thiazol-5-yl)propan-1-amine |
| IUPAC Name | 3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine |
| InChI | InChI=1S/C7H12N2S/c1-6-7(3-2-4-8)10-5-9-6/h5H,2-4,8H2,1H3 |
| InChI Key | RLXNSYFCHGOIHX-UHFFFAOYSA-N |
| MDL Number | MFCD08450484 |
| Molecular Formula | C7H12N2S |
| Molecular Weight | 156.2486 |
| SMILES | CC1=C(CCCN)SC=N1 |
| Synonyms | 325491-86-9,
3-(4-methylthiazol-5-yl)propan-1-amine,
3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine,
5-Thiazolepropanamine, 4-methyl-,
ZINC19088318,
AKOS011348859,
MCULE-2243480080,
AJ-70953,
BP-11001,
K-7563,
[3-(4-Methyl-1,3-thiazol-5-yl)propyl]amine hydrochloride,
|
| Complexity | 97.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.247g/mol |
| Monoisotopic Mass | 156.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number