| CAS Number | 921938-63-8 |
| Catalog Number | AG00H2ZK(AGN-PC-04G0LG) |
| Chemical Name | 1-(4-Bromothiophen-3-yl)-N-methylmethanamine |
| IUPAC Name | 1-(4-bromothiophen-3-yl)-N-methylmethanamine |
| InChI | InChI=1S/C6H8BrNS/c1-8-2-5-3-9-4-6(5)7/h3-4,8H,2H2,1H3 |
| InChI Key | IHWBWPWZBDLMBJ-UHFFFAOYSA-N |
| MDL Number | MFCD12913730 |
| Molecular Formula | C6H8BrNS |
| Molecular Weight | 206.1034 |
| SMILES | CNCC1=CSC=C1Br |
| Synonyms | 1-(4-bromothiophen-3-yl)-N-methylmethanamine,
921938-63-8,
(4-Bromo-thiophen-3-ylmethyl)-methyl-amine,
9467AH,
ZINC12370499,
AKOS017391038,
NE63356,
AJ-61822,
3-Thiophenemethanamine, 4-bromo-N-methyl-,
[(4-bromothiophen-3-yl)methyl](methyl)amine,
C6H8BrNS,
ACN-045128,
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| Complexity | 89.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.101g/mol |
| Monoisotopic Mass | 204.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number