| CAS Number | 710351-82-9 |
| Catalog Number | AG01A43O(AGN-PC-0WO5JU) |
| Chemical Name | 3-[2-(Pyrrolidin-1-yl)ethyl]aniline |
| IUPAC Name | 3-(2-pyrrolidin-1-ylethyl)aniline |
| InChI | InChI=1S/C12H18N2/c13-12-5-3-4-11(10-12)6-9-14-7-1-2-8-14/h3-5,10H,1-2,6-9,13H2 |
| InChI Key | UZELPSWMWQYMQZ-UHFFFAOYSA-N |
| MDL Number | MFCD10021263 |
| Molecular Formula | C12H18N2 |
| Molecular Weight | 190.2847 |
| SMILES | NC1=CC(CCN2CCCC2)=CC=C1 |
| Synonyms | 3-[2-(pyrrolidin-1-yl)ethyl]aniline,
710351-82-9,
3-(2-pyrrolidin-1-ylethyl)aniline,
SCHEMBL528725,
UZELPSWMWQYMQZ-UHFFFAOYSA-N,
3-(2-pyrrolidinylethyl)phenylamine,
ZINC20191990,
AKOS006303572,
NE32455,
3-(2-pyrrolidin-1-yl-ethyl)phenylamine,
3-(2-pyrrolidin-1-yl-ethyl)-phenylamine,
DA-41620,
Benzenamine,3-[2-(1-pyrrolidinyl)ethyl]-,
Benzenamine, 3-[2-(1-pyrrolidinyl)ethyl]-,
FT-0749195,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.29g/mol |
| Monoisotopic Mass | 190.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number