| CAS Number | 1021135-66-9 |
| Catalog Number | AG01AAJ8 |
| Chemical Name | N-ethyl-3-ethynylaniline |
| IUPAC Name | N-ethyl-3-ethynylaniline |
| InChI | InChI=1S/C10H11N/c1-3-9-6-5-7-10(8-9)11-4-2/h1,5-8,11H,4H2,2H3 |
| InChI Key | IMXBXBZQXNYPIX-UHFFFAOYSA-N |
| MDL Number | MFCD11138254 |
| Molecular Formula | C10H11N |
| Molecular Weight | 145.2010 |
| SMILES | CCNC1=CC(C#C)=CC=C1 |
| Synonyms | N-ethyl-3-ethynylaniline,
1021135-66-9,
AC1Q31GL,
SCHEMBL8283686,
ZINC19877004,
AKOS000224309,
MCULE-4764308220,
NE25334,
EN300-68755,
Z1263811617,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.205g/mol |
| Monoisotopic Mass | 145.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number