| CAS Number | 60042-20-8 |
| Catalog Number | AG018MW5(AGN-PC-025V2C) |
| Chemical Name | 3-(Prop-2-yn-1-yloxy)aniline |
| IUPAC Name | 3-prop-2-ynoxyaniline |
| InChI | InChI=1S/C9H9NO/c1-2-6-11-9-5-3-4-8(10)7-9/h1,3-5,7H,6,10H2 |
| InChI Key | VRRJGXBLWHBYTG-UHFFFAOYSA-N |
| MDL Number | MFCD12779238 |
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.1739 |
| SMILES | NC1=CC(OCC#C)=CC=C1 |
| Synonyms | 3-(prop-2-yn-1-yloxy)aniline,
[3-(prop-2-yn-1-yloxy)phenyl]amine,
60042-20-8,
3-prop-2-ynyloxyphenylamine,
F2158-1549,
3-(Propargyloxy)aniline,
AC1Q51R6,
SCHEMBL2227926,
ZINC9239393,
AKOS000346072,
MCULE-1648332411,
EN300-72608,
L-2568,
3-(Prop-2-ynyloxy)benzenamine,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.177g/mol |
| Monoisotopic Mass | 147.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number