| CAS Number | 926215-17-0 |
| Catalog Number | AG01A7NW |
| Chemical Name | 2-Methoxy-5-[(pyrrolidin-1-yl)carbonyl]aniline |
| IUPAC Name | (3-amino-4-methoxyphenyl)-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C12H16N2O2/c1-16-11-5-4-9(8-10(11)13)12(15)14-6-2-3-7-14/h4-5,8H,2-3,6-7,13H2,1H3 |
| InChI Key | VRINGIOCZBUXTK-UHFFFAOYSA-N |
| MDL Number | MFCD09043036 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | COC1=C(N)C=C(C(N2CCCC2)=O)C=C1 |
| Synonyms | 2-methoxy-5-(pyrrolidine-1-carbonyl)aniline,
926215-17-0,
2-methoxy-5-[(pyrrolidin-1-yl)carbonyl]aniline,
AC1Q45MK,
CTK7A6477,
ZINC20155902,
AKOS000111749,
MCULE-6119865709,
NE14147,
BB 0246455,
EN300-59294,
A1-07284,
(3-Amino-4-methoxy-phenyl)-pyrrolidin-1-yl-m ethanone,
Methanone, (3-amino-4-methoxyphenyl)-1-pyrrolidinyl,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number