| CAS Number | 22774-66-9 |
| Catalog Number | AG01DZ9F(AGN-PC-0QZDJ6) |
| Chemical Name | 4-methoxy-N-(prop-2-yn-1-yl)aniline |
| IUPAC Name | 4-methoxy-N-prop-2-ynylaniline |
| InChI | InChI=1S/C10H11NO/c1-3-8-11-9-4-6-10(12-2)7-5-9/h1,4-7,11H,8H2,2H3 |
| InChI Key | ZUDJGFVRXCMXKK-UHFFFAOYSA-N |
| MDL Number | MFCD01244909 |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2004 |
| SMILES | COC1=CC=C(NCC#C)C=C1 |
| Synonyms | 4-methoxy-N-(prop-2-yn-1-yl)aniline,
22774-66-9,
AC1NMABT,
Benzenamine, 4-methoxy-N-2-propyn-1-yl-,
4-Methoxy-N-propargylaniline,
SCHEMBL4226357,
4-methoxy-N-prop-2-ynylaniline,
AKOS009047679,
SR-01000398826,
SR-01000398826-1,
F0451-1196,
4-methoxy-N-prop-2-ynyl-aniline,
CID5001998,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.204g/mol |
| Monoisotopic Mass | 161.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number