| CAS Number | 953746-15-1 |
| Catalog Number | AG019NI3 |
| Chemical Name | 3-methyl-2-(pyrrolidine-1-carbonyl)aniline |
| IUPAC Name | (2-amino-6-methylphenyl)-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C12H16N2O/c1-9-5-4-6-10(13)11(9)12(15)14-7-2-3-8-14/h4-6H,2-3,7-8,13H2,1H3 |
| InChI Key | JUKKTGWRRBWPNF-UHFFFAOYSA-N |
| MDL Number | MFCD09734975 |
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.2682 |
| SMILES | CC1=C(C(N2CCCC2)=O)C(N)=CC=C1 |
| Synonyms | 3-methyl-2-(pyrrolidine-1-carbonyl)aniline,
953746-15-1,
3-methyl-2-(pyrrolidin-1-ylcarbonyl)aniline,
AC1Q2DAX,
SCHEMBL6367078,
CTK6C1536,
JUKKTGWRRBWPNF-UHFFFAOYSA-N,
ZINC22212034,
AKOS000143177,
MCULE-9450556432,
NE21646,
EN300-40488,
3-methyl-2-[(pyrrolidin-1-yl)carbonyl]aniline,
{2-Amino-6-methylphenyl}(1-pyrrolidinyl)methanone,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.273g/mol |
| Monoisotopic Mass | 204.126g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number