| CAS Number | 1595634-25-5 |
| Catalog Number | AG01B9B8 |
| Chemical Name | (2-methylpentan-2-yl)[(thiophen-2-yl)methyl]amine |
| IUPAC Name | 2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine |
| InChI | InChI=1S/C11H19NS/c1-4-7-11(2,3)12-9-10-6-5-8-13-10/h5-6,8,12H,4,7,9H2,1-3H3 |
| InChI Key | PRRGDTRBNKCBSE-UHFFFAOYSA-N |
| MDL Number | MFCD28348312 |
| Molecular Formula | C11H19NS |
| Molecular Weight | 197.3403 |
| SMILES | CCCC(NCC1SC=CC=1)(C)C |
| Synonyms | (2-methylpentan-2-yl)(thiophen-2-ylmethyl)amine,
1595634-25-5,
ZINC123197142,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.34g/mol |
| Monoisotopic Mass | 197.124g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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