| CAS Number | 869941-84-4 |
| Catalog Number | AG008DYX(AGN-PC-0WB53T) |
| Chemical Name | 2-(((3-Methylthiophen-2-yl)methyl)amino)ethanol |
| IUPAC Name | 2-[(3-methylthiophen-2-yl)methylamino]ethanol |
| InChI | InChI=1S/C8H13NOS/c1-7-2-5-11-8(7)6-9-3-4-10/h2,5,9-10H,3-4,6H2,1H3 |
| InChI Key | YVOGNJUGEMHXNN-UHFFFAOYSA-N |
| MDL Number | MFCD04594770 |
| Molecular Formula | C8H13NOS |
| Molecular Weight | 171.2599 |
| SMILES | C1(CNCCO)SC=CC=1C |
| Synonyms | 869941-84-4,
2-{[(3-METHYL-2-THIENYL)METHYL]AMINO}ETHANOL,
2-[(3-Methyl-thiophen-2-ylmethyl)-amino]-ethanol,
2-(((3-Methylthiophen-2-yl)methyl)amino)ethanol,
AC1NGCK2,
2-[(3-methylthiophen-2-yl)methylamino]ethanol,
CTK5F7509,
DTXSID40405994,
CHEMBRDG-BB 9071449,
MFCD04594770,
ZINC16363173,
AKOS000321018,
AJ-68883,
AM101418,
Y-1407,
2-{[(3-Methylthiophen-2-yl)methyl]amino}ethan-1-ol,
2-([(3-methyl-2-thienyl)methyl]amino)ethanol, AldrichCPR,
CID4721982,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.258g/mol |
| Monoisotopic Mass | 171.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 60.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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