| CAS Number | 937667-47-5 |
| Catalog Number | AG00JTCF(AGN-PC-0WOKNJ) |
| Chemical Name | N-((3-Methylthiophen-2-yl)methyl)propan-2-amine |
| IUPAC Name | N-[(3-methylthiophen-2-yl)methyl]propan-2-amine |
| InChI | InChI=1S/C9H15NS/c1-7(2)10-6-9-8(3)4-5-11-9/h4-5,7,10H,6H2,1-3H3 |
| InChI Key | SPXWKQPRAOWJIC-UHFFFAOYSA-N |
| MDL Number | MFCD09694047 |
| Molecular Formula | C9H15NS |
| Molecular Weight | 169.2871 |
| SMILES | CC(NCC1=C(C)C=CS1)C |
| Synonyms | 937667-47-5,
[(3-methylthiophen-2-yl)methyl](propan-2-yl)amine,
Isopropyl-(3-methyl-thiophen-2-ylmethyl)-amine,
N-((3-Methylthiophen-2-yl)methyl)propan-2-amine,
AC1Q1QC4,
KS-00001L8U,
MFCD09694047,
ZINC19880439,
AKOS000228349,
MCULE-5021950690,
NE54782,
AM101661,
Isopropyl (3-methylthiophen-2-ylmethyl)amine,
EN300-54522,
|
| Complexity | 114 |
| 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 | 3 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number