| CAS Number | 851788-23-3 |
| Catalog Number | AG00IDKG(AGN-PC-0WOALE) |
| Chemical Name | N-[(5-Bromothien-2-yl)methyl]-n-ethylamine |
| IUPAC Name | N-[(5-bromothiophen-2-yl)methyl]ethanamine |
| InChI | InChI=1S/C7H10BrNS/c1-2-9-5-6-3-4-7(8)10-6/h3-4,9H,2,5H2,1H3 |
| InChI Key | PUIYHTDCOWCDRS-UHFFFAOYSA-N |
| MDL Number | MFCD06385604 |
| Molecular Formula | C7H10BrNS |
| Molecular Weight | 220.1300 |
| SMILES | CCNCC1SC(Br)=CC=1 |
| Synonyms | 851788-23-3,
N-[(5-bromothien-2-yl)methyl]-N-ethylamine,
[(5-bromothiophen-2-yl)methyl](ethyl)amine,
N-[(5-bromothiophen-2-yl)methyl]ethanamine,
N-((5-Bromothiophen-2-yl)methyl)ethanamine,
2-Thiophenemethanamine, 5-bromo-N-ethyl-,
AC1M8XP6,
AC1Q31L6,
CTK6F2379,
ZINC3378503,
MFCD06385604,
AKOS000201157,
MCULE-4552372493,
NE58994,
EN300-12313,
Z85920474,
CID2496568,
|
| Complexity | 99.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.128g/mol |
| Monoisotopic Mass | 218.972g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number