| CAS Number | 953892-22-3 |
| Catalog Number | AG019N0S(AGN-PC-0WO40Y) |
| Chemical Name | N-(2-Amino-1-thien-3-ylethyl)-n,n-diethylamine |
| IUPAC Name | N,N-diethyl-1-thiophen-3-ylethane-1,2-diamine |
| InChI | InChI=1S/C10H18N2S/c1-3-12(4-2)10(7-11)9-5-6-13-8-9/h5-6,8,10H,3-4,7,11H2,1-2H3 |
| InChI Key | LMACEHBBGMXZMU-UHFFFAOYSA-N |
| MDL Number | MFCD09731793 |
| Molecular Formula | C10H18N2S |
| Molecular Weight | 198.3283 |
| SMILES | CCN(C(C1=CSC=C1)CN)CC |
| Synonyms | [2-amino-1-(thiophen-3-yl)ethyl]diethylamine,
N-(2-amino-1-thien-3-ylethyl)-N,N-diethylamine,
953892-22-3,
AC1Q2YXT,
CTK7E3102,
AKOS000140075,
AKOS016900795,
MCULE-3295923238,
NE14325,
EN300-39099,
F2186-0237,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.328g/mol |
| Monoisotopic Mass | 198.119g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number