| CAS Number | 1052547-44-0 |
| Catalog Number | AG00HAM8(AGN-PC-0WR4I5) |
| Chemical Name | 1-[4-(Pyrrolidin-1-ylcarbonyl)phenyl]methanamine, HCl |
| IUPAC Name | [4-(aminomethyl)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride |
| InChI | InChI=1S/C12H16N2O.ClH/c13-9-10-3-5-11(6-4-10)12(15)14-7-1-2-8-14;/h3-6H,1-2,7-9,13H2;1H |
| InChI Key | KUYJGBQTWLCWAM-UHFFFAOYSA-N |
| MDL Number | MFCD09282399 |
| Molecular Formula | C12H17ClN2O |
| Molecular Weight | 240.7292 |
| SMILES | Cl.NCC1=CC=C(C(N2CCCC2)=O)C=C1 |
| Synonyms | 1-[4-(pyrrolidin-1-ylcarbonyl)phenyl]methanamine hydrochloride,
1-[4-(Pyrrolidin-1-ylcarbonyl)phenyl]methanamine, HCl,
1052547-44-0,
[4-(pyrrolidine-1-carbonyl)phenyl]methanamine hydrochloride,
EN300-27322,
AC1Q3D71,
CTK7E4293,
AKOS015849118,
MCULE-9877316290,
NE59924,
TR-058577,
[4-(pyrrolidin-1-ylcarbonyl)benzyl]amine hydrochloride,
Z235340055,
882855-90-5,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.731g/mol |
| Monoisotopic Mass | 240.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number