| CAS Number | 1095204-97-9 |
| Catalog Number | AG019X7H |
| Chemical Name | [(5-phenylthiophen-2-yl)methyl](propan-2-yl)amine |
| IUPAC Name | N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine |
| InChI | InChI=1S/C14H17NS/c1-11(2)15-10-13-8-9-14(16-13)12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3 |
| InChI Key | PROTYIICNXCUBE-UHFFFAOYSA-N |
| MDL Number | MFCD11629404 |
| Molecular Formula | C14H17NS |
| Molecular Weight | 231.3565 |
| SMILES | CC(NCC1SC(C2=CC=CC=C2)=CC=1)C |
| Synonyms | [(5-phenylthiophen-2-yl)methyl](propan-2-yl)amine,
1095204-97-9,
AC1Q1QCJ,
ZINC34652212,
AKOS009004147,
NE60760,
EN300-54265,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.357g/mol |
| Monoisotopic Mass | 231.108g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number