| CAS Number | 847544-96-1 |
| Catalog Number | AG01ACAE(AGN-PC-0WO3T4) |
| Chemical Name | propyl[2-(thiophen-2-yl)ethyl]amine |
| IUPAC Name | N-(2-thiophen-2-ylethyl)propan-1-amine |
| InChI | InChI=1S/C9H15NS/c1-2-6-10-7-5-9-4-3-8-11-9/h3-4,8,10H,2,5-7H2,1H3 |
| InChI Key | YZBKMLGLDHXXFH-UHFFFAOYSA-N |
| MDL Number | MFCD11145622 |
| Molecular Formula | C9H15NS |
| Molecular Weight | 169.2871 |
| SMILES | CCCNCCC1=CC=CS1 |
| Synonyms | propyl[2-(thiophen-2-yl)ethyl]amine,
847544-96-1,
SCHEMBL6561248,
ZINC19949379,
AKOS000240063,
NE23315,
|
| Complexity | 95.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.286g/mol |
| Monoisotopic Mass | 169.093g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number