| CAS Number | 828242-07-5 |
| Catalog Number | AG004XRM(AGN-PC-01XFRY) |
| Chemical Name | N-Methyl-N-(3-pyrrolidin-1-ylbenzyl)amine |
| IUPAC Name | N-methyl-1-(3-pyrrolidin-1-ylphenyl)methanamine |
| InChI | InChI=1S/C12H18N2/c1-13-10-11-5-4-6-12(9-11)14-7-2-3-8-14/h4-6,9,13H,2-3,7-8,10H2,1H3 |
| InChI Key | UPWCDHABVAGLNO-UHFFFAOYSA-N |
| MDL Number | MFCD08271901 |
| Molecular Formula | C12H18N2 |
| Molecular Weight | 190.2847 |
| SMILES | CNCC1=CC(N2CCCC2)=CC=C1 |
| Synonyms | 828242-07-5,
N-Methyl-N-(3-pyrrolidin-1-ylbenzyl)amine,
Benzenemethanamine,N-methyl-3-(1-pyrrolidinyl)-,
methyl({[3-(pyrrolidin-1-yl)phenyl]methyl})amine,
N-Methyl-1-(3-(pyrrolidin-1-yl)phenyl)methanamine,
N-Methyl-1-[3-(pyrrolidin-1-yl)phenyl]methanamine,
SCHEMBL5621913,
CTK5F0104,
DTXSID50594505,
MFCD08271901,
SBB091170,
ZINC12370246,
AKOS006343489,
methyl[(3-pyrrolidinylphenyl)methyl]amine,
DB-075879,
FT-0751843,
Benzenemethanamine, N-methyl-3-(1-pyrrolidinyl)-,
N-Methyl-N-(3-pyrrolidin-1-ylbenzyl)amine, AldrichCPR,
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| 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 | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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