| CAS Number | 791601-01-9 |
| Catalog Number | AG00ID0G(AGN-PC-0WR4K7) |
| Chemical Name | benzyl[1-(thiophen-2-yl)propan-2-yl]amine |
| IUPAC Name | N-benzyl-1-thiophen-2-ylpropan-2-amine |
| InChI | InChI=1S/C14H17NS/c1-12(10-14-8-5-9-16-14)15-11-13-6-3-2-4-7-13/h2-9,12,15H,10-11H2,1H3 |
| InChI Key | PBBCYWGSIIIWGF-UHFFFAOYSA-N |
| MDL Number | MFCD06361976 |
| Molecular Formula | C14H17NS |
| Molecular Weight | 231.3565 |
| SMILES | CC(NCC1=CC=CC=C1)CC1SC=CC=1 |
| Synonyms | N-benzyl-N-(1-methyl-2-thien-2-ylethyl)amine,
791601-01-9,
benzyl[1-(thiophen-2-yl)propan-2-yl]amine,
AC1NJ8RP,
AC1Q1QZJ,
MLS001007887,
CHEMBL1432796,
CTK6A7154,
HMS1775G07,
HMS2717G18,
MFCD06361976,
AKOS008030434,
MCULE-7431535277,
NE47168,
N-benzyl-1-thiophen-2-ylpropan-2-amine,
SMR000352753,
N-Benzyl-1-(thiophen-2-yl)propan-2-amine,
EN300-11266,
CID4868418,
N-benzyl-1-thiophen-2-yl-propan-2-amine,
|
| Complexity | 189 |
| 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 | 5 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number